2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

C23H22N4O3S — CID 55711424

IUPAC2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCc3ccc(-n4cccn4)cc3)s2)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-15-21(31-23(26-15)17-7-10-19(29-2)20(13-17)30-3)22(28)24-14-16-5-8-18(9-6-16)27-12-4-11-25-27/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyOQMASRJRTNWLCZ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.25
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 55711424) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID55711424
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)NCc3ccc(-n4cccn4)cc3)s2)cc1OC
InChIInChI=1S/C23H22N4O3S/c1-15-21(31-23(26-15)17-7-10-19(29-2)20(13-17)30-3)22(28)24-14-16-5-8-18(9-6-16)27-12-4-11-25-27/h4-13H,14H2,1-3H3,(H,24,28)
InChIKeyOQMASRJRTNWLCZ-UHFFFAOYSA-N
XLogP4.25
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[4-(methoxymethyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55615027
2-(4-methoxyphenyl)-4-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 25332321
2-(3,4-dimethoxyphenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55561095
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166214618
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(3,4-dimethoxyphenyl)-4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 56557715
2-(3,4-dimethoxyphenyl)-4-methyl-N-[4-[(2-oxo-1-pyridinyl)methyl]phenyl]-1,3-thiazole-5-carboxamide
CID 55855136
5-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]pentanoic acid
CID 119234990
2-(3,4-dimethoxyphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55797374
N-[(2-bromo-5-fluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55900094
3-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250022
4-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41413211

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 55711424) is 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)NCc3ccc(-n4cccn4)cc3)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OQMASRJRTNWLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15-21(31-23(26-15)17-7-10-19(29-2)20(13-17)30-3)22(28)24-14-16-5-8-18(9-6-16)27-12-4-11-25-27/h4-13H,14H2,1-3H3,(H,24,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-4-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.25, 7 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-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55711424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).