[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate

C16H13N3O3S — CID 2448427

IUPAC[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate
SMILESCc1ccc2nc(NC(=O)COC(=O)c3ccncc3)sc2c1
InChIInChI=1S/C16H13N3O3S/c1-10-2-3-12-13(8-10)23-16(18-12)19-14(20)9-22-15(21)11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyYOSYIWCGFTUVJV-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.80
Rot. Bonds4

About [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate

[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate (PubChem CID 2448427) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate
PubChem CID2448427
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate
SMILESCc1ccc2nc(NC(=O)COC(=O)c3ccncc3)sc2c1
InChIInChI=1S/C16H13N3O3S/c1-10-2-3-12-13(8-10)23-16(18-12)19-14(20)9-22-15(21)11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyYOSYIWCGFTUVJV-UHFFFAOYSA-N
XLogP2.80
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 4784466
N-(6-(2-(Pyridin-4-ylmethoxy)pyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182282
1,3-Benzothiazole-6-carboxylic acid [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] ester
CID 2481957
[1-[(3,5-Dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 4831887
Cyclohexyl 2-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]acetate
CID 155530191
[2-Oxo-2-(1,3-thiazol-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2166024
[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2447914
[2-[(3,5-Dichloro-2-pyridinyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 2089376
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 2448254
Pyridine-2-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 3155677
2-Diethylaminoethyl 2-(cyclohexanecarbonylamino)-1,3-benzothiazole-6-carboxylate
CID 3113828
Ethyl 2-[(4-morpholin-4-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 155536658

Frequently Asked Questions

What is the IUPAC name of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate?
The IUPAC name of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate (CID 2448427) is [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate.
What is the SMILES notation for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate?
The canonical SMILES for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate is Cc1ccc2nc(NC(=O)COC(=O)c3ccncc3)sc2c1.
What is the InChIKey of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate?
The InChIKey is YOSYIWCGFTUVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-10-2-3-12-13(8-10)23-16(18-12)19-14(20)9-22-15(21)11-4-6-17-7-5-11/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate?
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate has a molecular weight of 327.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-4-carboxylate is sourced from PubChem (CID 2448427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).