| CAS Number | 668484-45-5 |
| Catalog Number | AG006QE1(AGN-PC-0CYJX7) |
| Chemical Name | 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylic acid |
| IUPAC Name | 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C13H19N3O4S/c1-13(2,3)20-12(19)16-6-4-15(5-7-16)11-14-9(8-21-11)10(17)18/h8H,4-7H2,1-3H3,(H,17,18) |
| InChI Key | FMSFMUBALWPCQM-UHFFFAOYSA-N |
| MDL Number | MFCD13193290 |
| Molecular Formula | C13H19N3O4S |
| Molecular Weight | 313.3727 |
| SMILES | CC(C)(C)OC(=O)N1CCN(CC1)C1=NC(=CS1)C(O)=O |
| Synonyms | 2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)thiazole-4-carboxylic acid,
668484-45-5,
AK-30619,
SCHEMBL13129749,
CTK8B7040,
KS-00000MQT,
ANW-56218,
MFCD13193290,
ZINC71490116,
AKOS016001122,
BBV-45001126,
AJ-118085,
AX8069027,
TC-144963,
FT-0681261,
ST24039384,
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-4-carboxylic acid,
2-[1-(tert-Butoxycarbonyl)-4-Piperidinyl]-1,3-Thiazole-4-Carboxylic Acid,
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| Complexity | 405 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.372g/mol |
| Monoisotopic Mass | 313.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number