2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide

C13H13ClN2O3S — CID 75488892

IUPAC2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(Cl)sc2C)c(OC)c1
InChIInChI=1S/C13H13ClN2O3S/c1-7-11(16-13(14)20-7)12(17)15-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H,15,17)
InChIKeyDSDAPEYBFMYVOZ-UHFFFAOYSA-N
MW312.78 g/mol
LogP3.37
Rot. Bonds4

About 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide

2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 75488892) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID75488892
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(Cl)sc2C)c(OC)c1
InChIInChI=1S/C13H13ClN2O3S/c1-7-11(16-13(14)20-7)12(17)15-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H,15,17)
InChIKeyDSDAPEYBFMYVOZ-UHFFFAOYSA-N
XLogP3.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781
N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691766
N-(2,4-dimethoxyphenyl)-5-methylthiophene-2-carboxamide
CID 7930911
N-(2,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963534
N-(2,4-dimethoxyphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249305
3-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860597
N-(2,4-dimethoxyphenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392914
N-(2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 7693958
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2,4-dimethoxyphenyl)-1,3-oxazole-4-carboxamide
CID 110689577
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 75488892) is 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2nc(Cl)sc2C)c(OC)c1.
What is the InChIKey of 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is DSDAPEYBFMYVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-7-11(16-13(14)20-7)12(17)15-9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3,(H,15,17).
What are the key properties of 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide?
2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 312.78 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75488892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).