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

C17H20FN3OS — CID 119600962

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCC1CCCC1NC(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C17H20FN3OS/c18-13-6-2-1-4-11(13)8-16-20-15(10-23-16)17(22)21-14-7-3-5-12(14)9-19/h1-2,4,6,10,12,14H,3,5,7-9,19H2,(H,21,22)
InChIKeyRQZJAAPBNOUFJM-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.73
Rot. Bonds5

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

N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119600962) has the molecular formula C17H20FN3OS and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID119600962
Molecular FormulaC17H20FN3OS
Molecular Weight333.43 g/mol
Exact Mass333.13
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESNCC1CCCC1NC(=O)c1csc(Cc2ccccc2F)n1
InChIInChI=1S/C17H20FN3OS/c18-13-6-2-1-4-11(13)8-16-20-15(10-23-16)17(22)21-14-7-3-5-12(14)9-19/h1-2,4,6,10,12,14H,3,5,7-9,19H2,(H,21,22)
InChIKeyRQZJAAPBNOUFJM-UHFFFAOYSA-N
XLogP2.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
2-[(2-fluorophenyl)methyl]-N-(2-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120576827
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
2-[(4-fluorophenyl)methyl]-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 166311557
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119611593
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
N-[2-(aminomethyl)cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119612343
2-[(2-fluorophenyl)methyl]-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 111460007
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide
CID 119783085
2-(2-aminoethyl)-N-[2-(3-methylbutyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 120630586
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 119600962) is N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is NCC1CCCC1NC(=O)c1csc(Cc2ccccc2F)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RQZJAAPBNOUFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3OS/c18-13-6-2-1-4-11(13)8-16-20-15(10-23-16)17(22)21-14-7-3-5-12(14)9-19/h1-2,4,6,10,12,14H,3,5,7-9,19H2,(H,21,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119600962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).