| CAS Number | 692889-71-7 |
| Catalog Number | AG01A6VR(AGN-PC-09OAPX) |
| Chemical Name | tert-butyl N-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]carbamate |
| IUPAC Name | tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate |
| InChI | InChI=1S/C13H15N3O2S/c1-13(2,3)18-12(17)16-10-8-19-11(15-10)9-4-6-14-7-5-9/h4-8H,1-3H3,(H,16,17) |
| InChI Key | SBWCFJQHZQVNBN-UHFFFAOYSA-N |
| MDL Number | MFCD24467297 |
| Molecular Formula | C13H15N3O2S |
| Molecular Weight | 277.3421 |
| SMILES | CC(OC(NC1N=C(C2=CC=NC=C2)SC=1)=O)(C)C |
| Synonyms | 692889-71-7,
N-[2-(4-pyridinyl)-4-thiazolyl]-carbamic acid 1,1-dimethylethyl ester,
tert-Butyl (2-(pyridin-4-yl)thiazol-4-yl)carbamate,
tert-butyl N-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]carbamate,
tert-butyl 2-(pyridin-4-yl)thiazol-4-ylcarbamate,
SCHEMBL3258037,
SBWCFJQHZQVNBN-UHFFFAOYSA-N,
MFCD24467297,
ZINC95829280,
NE54200,
AS-47547,
2-(Pyrid-4-yl)-4-(t-butoxycarbonylamino)-thiazole,
Carbamic acid, N-[2-(4-pyridinyl)-4-thiazolyl]-, 1,1-dimethylethyl ester,
|
| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.342g/mol |
| Monoisotopic Mass | 277.088g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number