[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate

C17H13N3O3S — CID 3155677

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13N3O3S/c21-15(10-23-16(22)13-8-4-5-9-18-13)20-17-19-14(11-24-17)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20,21)
InChIKeyZREQUJLVCUBZKW-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.00
Rot. Bonds5

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate (PubChem CID 3155677) has the molecular formula C17H13N3O3S and a molecular weight of 339.38 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate
PubChem CID3155677
Molecular FormulaC17H13N3O3S
Molecular Weight339.38 g/mol
Exact Mass339.07
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate
SMILESO=C(COC(=O)c1ccccn1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13N3O3S/c21-15(10-23-16(22)13-8-4-5-9-18-13)20-17-19-14(11-24-17)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20,21)
InChIKeyZREQUJLVCUBZKW-UHFFFAOYSA-N
XLogP3.00
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-3-carboxylate
CID 4784466
[1-[[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 4880900
[(4-Phenyl-1,3-thiazol-2-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 2361839
6-[[4-(1-Amino-2-phenylmethoxyethyl)-1,3-thiazol-2-yl]amino]pyridine-2-carboxamide
CID 49789442
[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-Oxo-2-[(4-phenyl-1,3-thiazol-2-yl)-prop-2-enylamino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 7834111
4-(dimethoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 90683421
Pyridine-2-carboxylic acid thiazol-2-ylcarbamoylmethyl ester
CID 652523
2-Methyl-2H-pyrazole-3-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 652422
[2-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2113807
[2-[[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2363253

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate (CID 3155677) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate is O=C(COC(=O)c1ccccn1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate?
The InChIKey is ZREQUJLVCUBZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S/c21-15(10-23-16(22)13-8-4-5-9-18-13)20-17-19-14(11-24-17)12-6-2-1-3-7-12/h1-9,11H,10H2,(H,19,20,21).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate has a molecular weight of 339.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] pyridine-2-carboxylate is sourced from PubChem (CID 3155677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).