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

C17H21N3O2S — CID 119760269

IUPAC2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3csc(CN)n3)CCCC2)cc1
InChIInChI=1S/C17H21N3O2S/c1-22-13-6-4-12(5-7-13)17(8-2-3-9-17)20-16(21)14-11-23-15(10-18)19-14/h4-7,11H,2-3,8-10,18H2,1H3,(H,20,21)
InChIKeyDBYUNPLHHHGUQS-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.81
Rot. Bonds5

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

2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide (PubChem CID 119760269) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide
PubChem CID119760269
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C2(NC(=O)c3csc(CN)n3)CCCC2)cc1
InChIInChI=1S/C17H21N3O2S/c1-22-13-6-4-12(5-7-13)17(8-2-3-9-17)20-16(21)14-11-23-15(10-18)19-14/h4-7,11H,2-3,8-10,18H2,1H3,(H,20,21)
InChIKeyDBYUNPLHHHGUQS-UHFFFAOYSA-N
XLogP2.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminoethyl)-N-(1-phenylcyclopentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120633064
2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 115739557
5-[[1-(4-methoxyphenyl)cyclopentyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685365
1-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 66377481
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
3-amino-N-[1-(4-methoxyphenyl)cyclohexyl]propanamide
CID 110478988
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
2-(aminomethyl)-N-[1-(propylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119767199
2-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749955
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide (CID 119760269) is 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide is COc1ccc(C2(NC(=O)c3csc(CN)n3)CCCC2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DBYUNPLHHHGUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-22-13-6-4-12(5-7-13)17(8-2-3-9-17)20-16(21)14-11-23-15(10-18)19-14/h4-7,11H,2-3,8-10,18H2,1H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(4-methoxyphenyl)cyclopentyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119760269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).