2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride

C18H21ClF3N3OS — CID 119752294

IUPAC2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cs1
InChIInChI=1S/C18H20F3N3OS.ClH/c19-18(20,21)13-5-3-4-12(8-13)17(6-1-2-7-17)11-23-16(25)14-10-26-15(9-22)24-14;/h3-5,8,10H,1-2,6-7,9,11,22H2,(H,23,25);1H
InChIKeyVUWNRWOJNMRPPB-UHFFFAOYSA-N
MW419.90 g/mol
LogP4.28
Rot. Bonds5

About 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119752294) has the molecular formula C18H21ClF3N3OS and a molecular weight of 419.90 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119752294
Molecular FormulaC18H21ClF3N3OS
Molecular Weight419.90 g/mol
Exact Mass419.10
IUPAC Name2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cs1
InChIInChI=1S/C18H20F3N3OS.ClH/c19-18(20,21)13-5-3-4-12(8-13)17(6-1-2-7-17)11-23-16(25)14-10-26-15(9-22)24-14;/h3-5,8,10H,1-2,6-7,9,11,22H2,(H,23,25);1H
InChIKeyVUWNRWOJNMRPPB-UHFFFAOYSA-N
XLogP4.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.90
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

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-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
2-(aminomethyl)-N-[[1-(1,3-benzodioxol-5-yl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119749630
2-(aminomethyl)-N-[[1-(4-bromophenyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide
CID 119744788
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119780565
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119752294) is 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCc1nc(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is VUWNRWOJNMRPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3OS.ClH/c19-18(20,21)13-5-3-4-12(8-13)17(6-1-2-7-17)11-23-16(25)14-10-26-15(9-22)24-14;/h3-5,8,10H,1-2,6-7,9,11,22H2,(H,23,25);1H.
What are the key properties of 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 419.90 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119752294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).