2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide

C24H25ClN2O3S — CID 59768268

IUPAC2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3csc(-c4ccc(Cl)cc4)n3)CCCC2)cc1OC
InChIInChI=1S/C24H25ClN2O3S/c1-29-20-10-7-17(13-21(20)30-2)24(11-3-4-12-24)15-26-22(28)19-14-31-23(27-19)16-5-8-18(25)9-6-16/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,26,28)
InChIKeyLRTHJLTWGWVYMW-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.72
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 59768268) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID59768268
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3csc(-c4ccc(Cl)cc4)n3)CCCC2)cc1OC
InChIInChI=1S/C24H25ClN2O3S/c1-29-20-10-7-17(13-21(20)30-2)24(11-3-4-12-24)15-26-22(28)19-14-31-23(27-19)16-5-8-18(25)9-6-16/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,26,28)
InChIKeyLRTHJLTWGWVYMW-UHFFFAOYSA-N
XLogP5.72
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59768254
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 46462293
2-(4-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120888047
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55666102
N-[(4-carbamoyloxan-4-yl)methyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 56808469
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide (CID 59768268) is 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide is COc1ccc(C2(CNC(=O)c3csc(-c4ccc(Cl)cc4)n3)CCCC2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LRTHJLTWGWVYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-29-20-10-7-17(13-21(20)30-2)24(11-3-4-12-24)15-26-22(28)19-14-31-23(27-19)16-5-8-18(25)9-6-16/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 457.00 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59768268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).