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

C27H32N2O5S — CID 59768254

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(Cc2nc(C(=O)NCC3(c4ccc(OC)c(OC)c4)CCCC3)cs2)c1
InChIInChI=1S/C27H32N2O5S/c1-31-20-8-10-22(32-2)18(13-20)14-25-29-21(16-35-25)26(30)28-17-27(11-5-6-12-27)19-7-9-23(33-3)24(15-19)34-4/h7-10,13,15-16H,5-6,11-12,14,17H2,1-4H3,(H,28,30)
InChIKeyQGZZUDDDTMNHMS-UHFFFAOYSA-N
MW496.63 g/mol
LogP5.01
Rot. Bonds10

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

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 59768254) has the molecular formula C27H32N2O5S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID59768254
Molecular FormulaC27H32N2O5S
Molecular Weight496.63 g/mol
Exact Mass496.20
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(Cc2nc(C(=O)NCC3(c4ccc(OC)c(OC)c4)CCCC3)cs2)c1
InChIInChI=1S/C27H32N2O5S/c1-31-20-8-10-22(32-2)18(13-20)14-25-29-21(16-35-25)26(30)28-17-27(11-5-6-12-27)19-7-9-23(33-3)24(15-19)34-4/h7-10,13,15-16H,5-6,11-12,14,17H2,1-4H3,(H,28,30)
InChIKeyQGZZUDDDTMNHMS-UHFFFAOYSA-N
XLogP5.01
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.63
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(3,4-diethylphenyl)cyclopentyl]methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 70992635
2-(4-chlorophenyl)-N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 59768268
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120619873
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
2-(aminomethyl)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119749630
2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119733910
2-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749955
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911
2-(4-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-4-carboxamide
CID 46462293
4-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-4-oxobutanoate
CID 3678737

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 59768254) is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccc(OC)c(Cc2nc(C(=O)NCC3(c4ccc(OC)c(OC)c4)CCCC3)cs2)c1.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QGZZUDDDTMNHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5S/c1-31-20-8-10-22(32-2)18(13-20)14-25-29-21(16-35-25)26(30)28-17-27(11-5-6-12-27)19-7-9-23(33-3)24(15-19)34-4/h7-10,13,15-16H,5-6,11-12,14,17H2,1-4H3,(H,28,30).
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 496.63 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59768254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).