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

C19H22N4O3S — CID 24655008

IUPAC2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3c(C)nn(C)c3C)s2)cc1OC
InChIInChI=1S/C19H22N4O3S/c1-10-16(12(3)23(4)22-10)21-18(24)17-11(2)20-19(27-17)13-7-8-14(25-5)15(9-13)26-6/h7-9H,1-6H3,(H,21,24)
InChIKeyMADBFTRNNGENJW-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.74
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 24655008) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID24655008
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3c(C)nn(C)c3C)s2)cc1OC
InChIInChI=1S/C19H22N4O3S/c1-10-16(12(3)23(4)22-10)21-18(24)17-11(2)20-19(27-17)13-7-8-14(25-5)15(9-13)26-6/h7-9H,1-6H3,(H,21,24)
InChIKeyMADBFTRNNGENJW-UHFFFAOYSA-N
XLogP3.74
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 134044579
N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779
methyl 5-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]thiophene-2-carboxylate
CID 24509331
2-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 75269417
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26688807
2-(3,4-dimethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26692755
2-(3,4-dimethoxyphenyl)-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 26691272
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 36842250
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 51231531
N-(5-acetamido-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55551115
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 18280439
2-(3,4-dimethoxyphenyl)-N'-(2-hydroxybenzoyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 27698476

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 24655008) is 2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3c(C)nn(C)c3C)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is MADBFTRNNGENJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-10-16(12(3)23(4)22-10)21-18(24)17-11(2)20-19(27-17)13-7-8-14(25-5)15(9-13)26-6/h7-9H,1-6H3,(H,21,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24655008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).