2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide

C16H19N3OS — CID 119783085

IUPAC2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC2CCCC2c2ccccc2)cs1
InChIInChI=1S/C16H19N3OS/c17-9-15-18-14(10-21-15)16(20)19-13-8-4-7-12(13)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9,17H2,(H,19,20)
InChIKeyIBDXSLNUCTVILI-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.67
Rot. Bonds4

About 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide (PubChem CID 119783085) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide
PubChem CID119783085
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC2CCCC2c2ccccc2)cs1
InChIInChI=1S/C16H19N3OS/c17-9-15-18-14(10-21-15)16(20)19-13-8-4-7-12(13)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9,17H2,(H,19,20)
InChIKeyIBDXSLNUCTVILI-UHFFFAOYSA-N
XLogP2.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
N-[2-(aminomethyl)cyclohexyl]-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119609820
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119600962
5-cyclopropyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739374
5-cyclopropyl-N-[(1R,2R)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739375
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
2-(aminomethyl)-N-(2-propylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 103812762
2-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763307
N-methyl-2-[4-[[[(1S,2R)-2-phenylcyclopentyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 99634670

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide (CID 119783085) is 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NC2CCCC2c2ccccc2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IBDXSLNUCTVILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c17-9-15-18-14(10-21-15)16(20)19-13-8-4-7-12(13)11-5-2-1-3-6-11/h1-3,5-6,10,12-13H,4,7-9,17H2,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-phenylcyclopentyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119783085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).