2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate

C12H10N3O3S2- — CID 6951970

IUPAC2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
SMILESCc1csc(NC(=O)CSc2ncccc2C(=O)[O-])n1
InChIInChI=1S/C12H11N3O3S2/c1-7-5-20-12(14-7)15-9(16)6-19-10-8(11(17)18)3-2-4-13-10/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16)/p-1
InChIKeySTNSBBNOOCGOGT-UHFFFAOYSA-M
MW308.36 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate

2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate (PubChem CID 6951970) has the molecular formula C12H10N3O3S2- and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
PubChem CID6951970
Molecular FormulaC12H10N3O3S2-
Molecular Weight308.36 g/mol
Exact Mass308.02
IUPAC Name2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate
SMILESCc1csc(NC(=O)CSc2ncccc2C(=O)[O-])n1
InChIInChI=1S/C12H11N3O3S2/c1-7-5-20-12(14-7)15-9(16)6-19-10-8(11(17)18)3-2-4-13-10/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16)/p-1
InChIKeySTNSBBNOOCGOGT-UHFFFAOYSA-M
XLogP0.94
TPSA95.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 26368475
potassium 2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 72703544
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595309
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3228873
2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylpyridine-3-carboxylate
CID 2371854
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 16615164
2-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2995110
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
2-(3-hydroxyphenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104590763
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 2403044

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate?
The IUPAC name of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate (CID 6951970) is 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate.
What is the SMILES notation for 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate?
The canonical SMILES for 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate is Cc1csc(NC(=O)CSc2ncccc2C(=O)[O-])n1.
What is the InChIKey of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate?
The InChIKey is STNSBBNOOCGOGT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11N3O3S2/c1-7-5-20-12(14-7)15-9(16)6-19-10-8(11(17)18)3-2-4-13-10/h2-5H,6H2,1H3,(H,17,18)(H,14,15,16)/p-1.
What are the key properties of 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate?
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate is sourced from PubChem (CID 6951970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).