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

C24H26N2O4S — CID 52656409

IUPACN-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3OC3CCCC3)s2)cc1OC
InChIInChI=1S/C24H26N2O4S/c1-15-22(31-24(25-15)16-12-13-20(28-2)21(14-16)29-3)23(27)26-18-10-6-7-11-19(18)30-17-8-4-5-9-17/h6-7,10-14,17H,4-5,8-9H2,1-3H3,(H,26,27)
InChIKeyTVUMVMCVYKWSRH-UHFFFAOYSA-N
MW438.55 g/mol
LogP5.71
Rot. Bonds7

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

N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 52656409) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID52656409
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC NameN-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3OC3CCCC3)s2)cc1OC
InChIInChI=1S/C24H26N2O4S/c1-15-22(31-24(25-15)16-12-13-20(28-2)21(14-16)29-3)23(27)26-18-10-6-7-11-19(18)30-17-8-4-5-9-17/h6-7,10-14,17H,4-5,8-9H2,1-3H3,(H,26,27)
InChIKeyTVUMVMCVYKWSRH-UHFFFAOYSA-N
XLogP5.71
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.55
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55514974
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 18280439
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666433
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
N-(3-acetamido-4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24666779
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
2-(3,4-dimethoxyphenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119452667
2-(3,4-dimethoxyphenyl)-4-methyl-N'-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 55414156
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 24655008
methyl 5-[[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]thiophene-2-carboxylate
CID 24509331

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 52656409) is N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3OC3CCCC3)s2)cc1OC.
What is the InChIKey of N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is TVUMVMCVYKWSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-15-22(31-24(25-15)16-12-13-20(28-2)21(14-16)29-3)23(27)26-18-10-6-7-11-19(18)30-17-8-4-5-9-17/h6-7,10-14,17H,4-5,8-9H2,1-3H3,(H,26,27).
What are the key properties of N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyphenyl)-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 52656409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).