N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C19H17ClN2O2S — CID 84554668

IUPACN-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3cc(Cl)ccc3C)cs2)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-12-3-6-14(20)10-16(12)22-19(23)17-11-25-18(21-17)9-13-4-7-15(24-2)8-5-13/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyMXCZERZQYAMGPE-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.96
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 84554668) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID84554668
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(Cc2nc(C(=O)Nc3cc(Cl)ccc3C)cs2)cc1
InChIInChI=1S/C19H17ClN2O2S/c1-12-3-6-14(20)10-16(12)22-19(23)17-11-25-18(21-17)9-13-4-7-15(24-2)8-5-13/h3-8,10-11H,9H2,1-2H3,(H,22,23)
InChIKeyMXCZERZQYAMGPE-UHFFFAOYSA-N
XLogP4.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554690
N-(2-hydroxy-5-nitrophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554707
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66373820
2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 84556750
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
N-(5-chloro-2-methylphenyl)-6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270583
N'-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213433
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705565
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]pentanoic acid
CID 84556753
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoic acid
CID 84556759

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 84554668) is N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(Cc2nc(C(=O)Nc3cc(Cl)ccc3C)cs2)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MXCZERZQYAMGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-12-3-6-14(20)10-16(12)22-19(23)17-11-25-18(21-17)9-13-4-7-15(24-2)8-5-13/h3-8,10-11H,9H2,1-2H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 84554668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).