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

C24H27N3O3S — CID 18280439

IUPAC2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3N3CCCCC3)s2)cc1OC
InChIInChI=1S/C24H27N3O3S/c1-16-22(31-24(25-16)17-11-12-20(29-2)21(15-17)30-3)23(28)26-18-9-5-6-10-19(18)27-13-7-4-8-14-27/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,26,28)
InChIKeyITYZTQISGVKSTN-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.38
Rot. Bonds6

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

2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 18280439) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID18280439
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3N3CCCCC3)s2)cc1OC
InChIInChI=1S/C24H27N3O3S/c1-16-22(31-24(25-16)17-11-12-20(29-2)21(15-17)30-3)23(28)26-18-9-5-6-10-19(18)27-13-7-4-8-14-27/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,26,28)
InChIKeyITYZTQISGVKSTN-UHFFFAOYSA-N
XLogP5.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24675902
N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52656409
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55514974
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 26688807
N-(2,6-difluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 134044579
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 24655008
N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779
[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157
methyl 5-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]thiophene-2-carboxylate
CID 24509331
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27160888
N-(5-acetamido-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55551115
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-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide (CID 18280439) is 2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3N3CCCCC3)s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ITYZTQISGVKSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-16-22(31-24(25-16)17-11-12-20(29-2)21(15-17)30-3)23(28)26-18-9-5-6-10-19(18)27-13-7-4-8-14-27/h5-6,9-12,15H,4,7-8,13-14H2,1-3H3,(H,26,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide?
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 18280439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).