| CAS Number | 1186298-92-9 |
| Catalog Number | AG00HEN0(AGN-PC-0WQWTT) |
| Chemical Name | tert-Butyl (5-methylthiazol-2-yl)carbamate |
| IUPAC Name | tert-butyl N-(5-methyl-1,3-thiazol-2-yl)carbamate |
| InChI | InChI=1S/C9H14N2O2S/c1-6-5-10-7(14-6)11-8(12)13-9(2,3)4/h5H,1-4H3,(H,10,11,12) |
| InChI Key | XIIPQPUEUHENHU-UHFFFAOYSA-N |
| MDL Number | MFCD20039782 |
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.2847 |
| SMILES | CC1=CN=C(S1)NC(OC(C)(C)C)=O |
| Synonyms | 1186298-92-9,
tert-butyl N-(5-methyl-1,3-thiazol-2-yl)carbamate,
tert-Butyl (5-methylthiazol-2-yl)carbamate,
SCHEMBL12241503,
ZINC75300740,
AKOS014476022,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.283g/mol |
| Monoisotopic Mass | 214.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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