2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide

C19H16ClN5OS2 — CID 53100845

IUPAC2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnn(-c3cccc(Cl)c3)c2C)sc1C(=O)NCc1cccs1
InChIInChI=1S/C19H16ClN5OS2/c1-11-17(18(26)21-10-15-7-4-8-27-15)28-19(22-11)16-12(2)25(24-23-16)14-6-3-5-13(20)9-14/h3-9H,10H2,1-2H3,(H,21,26)
InChIKeyHCQXCPSJFZKNIJ-UHFFFAOYSA-N
MW429.96 g/mol
LogP4.65
Rot. Bonds5

About 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 53100845) has the molecular formula C19H16ClN5OS2 and a molecular weight of 429.96 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID53100845
Molecular FormulaC19H16ClN5OS2
Molecular Weight429.96 g/mol
Exact Mass429.05
IUPAC Name2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2nnn(-c3cccc(Cl)c3)c2C)sc1C(=O)NCc1cccs1
InChIInChI=1S/C19H16ClN5OS2/c1-11-17(18(26)21-10-15-7-4-8-27-15)28-19(22-11)16-12(2)25(24-23-16)14-6-3-5-13(20)9-14/h3-9H,10H2,1-2H3,(H,21,26)
InChIKeyHCQXCPSJFZKNIJ-UHFFFAOYSA-N
XLogP4.65
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.96
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53100811
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[5-methyl-1-(3-methylsulfanylphenyl)triazol-4-yl]-1,3-thiazole-5-carboxamide
CID 50819268
2-[1-(4-chlorophenyl)-5-methyltriazol-4-yl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 53337949
4-methyl-N-(3-methylbutyl)-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100716
N-[2-(3-chlorophenyl)ethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134048088
2-[1-(4-ethoxyphenyl)-5-methyltriazol-4-yl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53100826
2-[1-(3,4-dimethylphenyl)-5-methyltriazol-4-yl]-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 95082033
1-(4-bromo-3-methylphenyl)-5-methyl-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 46858176
N-cycloheptyl-4-methyl-2-(5-methyl-1-phenyltriazol-4-yl)-1,3-thiazole-5-carboxamide
CID 53100720
N-[(3-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 18279656
2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24640711
N-[(5-chlorothiophen-2-yl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55873365

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 53100845) is 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2nnn(-c3cccc(Cl)c3)c2C)sc1C(=O)NCc1cccs1.
What is the InChIKey of 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HCQXCPSJFZKNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS2/c1-11-17(18(26)21-10-15-7-4-8-27-15)28-19(22-11)16-12(2)25(24-23-16)14-6-3-5-13(20)9-14/h3-9H,10H2,1-2H3,(H,21,26).
What are the key properties of 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 429.96 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-4-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53100845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).