2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide

C19H18N2O3S2 — CID 24671896

IUPAC2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3cccc(SC)c3)cs2)c1OC
InChIInChI=1S/C19H18N2O3S2/c1-23-16-9-5-8-14(17(16)24-2)19-21-15(11-26-19)18(22)20-12-6-4-7-13(10-12)25-3/h4-11H,1-3H3,(H,20,22)
InChIKeyPHQFZYQFSKVKDZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.80
Rot. Bonds6

About 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide

2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 24671896) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID24671896
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)Nc3cccc(SC)c3)cs2)c1OC
InChIInChI=1S/C19H18N2O3S2/c1-23-16-9-5-8-14(17(16)24-2)19-21-15(11-26-19)18(22)20-12-6-4-7-13(10-12)25-3/h4-11H,1-3H3,(H,20,22)
InChIKeyPHQFZYQFSKVKDZ-UHFFFAOYSA-N
XLogP4.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
N-(5-chloro-2-methylphenyl)-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36751297
2-(2,3-dimethoxyphenyl)-N-methylsulfonyl-1,3-thiazole-4-carboxamide
CID 146154055
N'-benzoyl-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 36716067
2-(2,3-dimethoxyphenyl)-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 46560358
2-(2,3-dimethoxyphenyl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24672391
2-(3,4-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 9180409
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46551536
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2,3-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 36771940
2-(2,3-dimethoxyphenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide
CID 24672068
N-(3,5-difluoro-4-methoxyphenyl)-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 167959605
6-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 103874045

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide (CID 24671896) is 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is COc1cccc(-c2nc(C(=O)Nc3cccc(SC)c3)cs2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PHQFZYQFSKVKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-23-16-9-5-8-14(17(16)24-2)19-21-15(11-26-19)18(22)20-12-6-4-7-13(10-12)25-3/h4-11H,1-3H3,(H,20,22).
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide?
2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24671896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).