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

C16H21Cl2N3OS — CID 119604930

IUPACN-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3OS.2ClH/c17-9-12-7-4-8-13(12)18-15(20)14-10-21-16(19-14)11-5-2-1-3-6-11;;/h1-3,5-6,10,12-13H,4,7-9,17H2,(H,18,20);2*1H
InChIKeyKHOADKXMCMZBSD-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.51
Rot. Bonds4

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

N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119604930) has the molecular formula C16H21Cl2N3OS and a molecular weight of 374.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119604930
Molecular FormulaC16H21Cl2N3OS
Molecular Weight374.34 g/mol
Exact Mass373.08
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1CCCC1NC(=O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H19N3OS.2ClH/c17-9-12-7-4-8-13(12)18-15(20)14-10-21-16(19-14)11-5-2-1-3-6-11;;/h1-3,5-6,10,12-13H,4,7-9,17H2,(H,18,20);2*1H
InChIKeyKHOADKXMCMZBSD-UHFFFAOYSA-N
XLogP3.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.51
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
N-[2-(aminomethyl)cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119612343
N-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 119612533
N-[2-(aminomethyl)cyclohexyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610815
N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119600962
N-[2-(aminomethyl)cyclohexyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 119612433
N-[2-(aminomethyl)cyclopentyl]-3-phenylthiophene-2-carboxamide;hydrochloride
CID 119603142
4-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229160
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119604473
N-[2-(aminomethyl)cyclopentyl]quinoxaline-2-carboxamide;dihydrochloride
CID 119600664
N-(1-amino-2-cyclopropylpropan-2-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575714

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119604930) is N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride is Cl.Cl.NCC1CCCC1NC(=O)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is KHOADKXMCMZBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS.2ClH/c17-9-12-7-4-8-13(12)18-15(20)14-10-21-16(19-14)11-5-2-1-3-6-11;;/h1-3,5-6,10,12-13H,4,7-9,17H2,(H,18,20);2*1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 374.34 g/mol, XLogP of 3.51, 4 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-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119604930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).