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

C17H12ClN3O3S — CID 2361839

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H12ClN3O3S/c18-15-12(7-4-8-19-15)16(23)24-9-14(22)21-17-20-13(10-25-17)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyPZYCVTQMWKZRSM-UHFFFAOYSA-N
MW373.82 g/mol
LogP3.65
Rot. Bonds5

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

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate (PubChem CID 2361839) has the molecular formula C17H12ClN3O3S and a molecular weight of 373.82 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate
PubChem CID2361839
Molecular FormulaC17H12ClN3O3S
Molecular Weight373.82 g/mol
Exact Mass373.03
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Cl)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H12ClN3O3S/c18-15-12(7-4-8-19-15)16(23)24-9-14(22)21-17-20-13(10-25-17)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21,22)
InChIKeyPZYCVTQMWKZRSM-UHFFFAOYSA-N
XLogP3.65
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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
Ethyl 2-[2-(6-chloropyridine-3-amido)-1,3-thiazol-4-yl]acetate
CID 2466542
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 2587834
[2-[(3,5-Dichloro-6-methylpyridin-2-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8109567
(2-{[(2-Methylphenyl)carbamoyl]methyl}-1,3-thiazol-4-yl)methyl 2-chloropyridine-3-carboxylate
CID 2119757
[2-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2113807
Pyridine-2-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 3155677
(2-{[(2-Methylphenyl)carbamoyl]methyl}-1,3-thiazol-4-yl)methyl 6-chloropyridine-3-carboxylate
CID 24978738
2-[2-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 43811692
Methyl 5-(2-chlorophenyl)-2-(nicotinamido)thiazole-4-carboxylate
CID 60175910
{Benzyl[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 16619496

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate (CID 2361839) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Cl)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate?
The InChIKey is PZYCVTQMWKZRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S/c18-15-12(7-4-8-19-15)16(23)24-9-14(22)21-17-20-13(10-25-17)11-5-2-1-3-6-11/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-chloropyridine-3-carboxylate has a molecular weight of 373.82 g/mol, XLogP of 3.65, 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] 2-chloropyridine-3-carboxylate is sourced from PubChem (CID 2361839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).