N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide

C16H14ClN3O2S — CID 3591778

IUPACN-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CSC(c2ccncc2)=N1
InChIInChI=1S/C16H14ClN3O2S/c1-22-14-3-2-11(17)8-12(14)19-15(21)13-9-23-16(20-13)10-4-6-18-7-5-10/h2-8,13H,9H2,1H3,(H,19,21)
InChIKeyZVYQJRGMKAGQOG-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.24
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 3591778) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID3591778
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CSC(c2ccncc2)=N1
InChIInChI=1S/C16H14ClN3O2S/c1-22-14-3-2-11(17)8-12(14)19-15(21)13-9-23-16(20-13)10-4-6-18-7-5-10/h2-8,13H,9H2,1H3,(H,19,21)
InChIKeyZVYQJRGMKAGQOG-UHFFFAOYSA-N
XLogP3.24
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide 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

1-(5-Chloro-2-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 970515
1-[(5-Chloro-2-methoxy-phenylcarbamoyl)-methyl]-3-methyl-pyridinium
CID 24761067
N-(5-chloro-2-methoxyphenyl)-2-(1H-pyrrol-1-yl)acetamide
CID 3239638
N-(4-ethoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 3591780
N-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 44399045
N-(5-chloro-2-methoxyphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 2120529
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 2267215
1-[(5-Chloro-2-methoxy-phenylcarbamoyl)-methyl]-pyridinium
CID 12532172
N-(5-chloro-2-methoxyphenyl)-N'-(pyridin-4-ylmethyl)ethanediamide
CID 2217964
N-(5-chloro-2-methoxyphenyl)-N'-[1-(4-pyridinyl)ethyl]urea
CID 2956818
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 51098888
2-(5-chloro-2-methoxyanilino)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 51108521

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 3591778) is N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CSC(c2ccncc2)=N1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is ZVYQJRGMKAGQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c1-22-14-3-2-11(17)8-12(14)19-15(21)13-9-23-16(20-13)10-4-6-18-7-5-10/h2-8,13H,9H2,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3591778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).