N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C28H34N2O2S — CID 70992635

IUPACN-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(C2(CNC(=O)c3csc(Cc4ccc(OC)cc4)n3)CCCC2)cc1CC
InChIInChI=1S/C28H34N2O2S/c1-4-21-10-11-23(17-22(21)5-2)28(14-6-7-15-28)19-29-27(31)25-18-33-26(30-25)16-20-8-12-24(32-3)13-9-20/h8-13,17-18H,4-7,14-16,19H2,1-3H3,(H,29,31)
InChIKeyKGAWQUUONWBPBI-UHFFFAOYSA-N
MW462.66 g/mol
LogP6.11
Rot. Bonds9

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

N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 70992635) has the molecular formula C28H34N2O2S and a molecular weight of 462.66 g/mol. Its IUPAC name is N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID70992635
Molecular FormulaC28H34N2O2S
Molecular Weight462.66 g/mol
Exact Mass462.23
IUPAC NameN-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(C2(CNC(=O)c3csc(Cc4ccc(OC)cc4)n3)CCCC2)cc1CC
InChIInChI=1S/C28H34N2O2S/c1-4-21-10-11-23(17-22(21)5-2)28(14-6-7-15-28)19-29-27(31)25-18-33-26(30-25)16-20-8-12-24(32-3)13-9-20/h8-13,17-18H,4-7,14-16,19H2,1-3H3,(H,29,31)
InChIKeyKGAWQUUONWBPBI-UHFFFAOYSA-N
XLogP6.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.66
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119733910
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
2-(aminomethyl)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119749630
2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 59768268
2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 46462293
2-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749955
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
2-[(4-methoxyphenyl)methyl]-N-(2,4,4-trimethylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 84556750
2-(aminomethyl)-N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide
CID 119744788
2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 119760269
N-(2-hydroxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 84554690

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 70992635) is N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is CCc1ccc(C2(CNC(=O)c3csc(Cc4ccc(OC)cc4)n3)CCCC2)cc1CC.
What is the InChIKey of N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KGAWQUUONWBPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2S/c1-4-21-10-11-23(17-22(21)5-2)28(14-6-7-15-28)19-29-27(31)25-18-33-26(30-25)16-20-8-12-24(32-3)13-9-20/h8-13,17-18H,4-7,14-16,19H2,1-3H3,(H,29,31).
What are the key properties of N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 462.66 g/mol, XLogP of 6.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70992635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).