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

C12H20ClN3OS — CID 119780565

IUPAC2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1(CNC(=O)c2csc(CN)n2)CCCC1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-12(4-2-3-5-12)8-14-11(16)9-7-17-10(6-13)15-9;/h7H,2-6,8,13H2,1H3,(H,14,16);1H
InChIKeyFZKDKYSXDBARRK-UHFFFAOYSA-N
MW289.83 g/mol
LogP2.33
Rot. Bonds4

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

2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119780565) has the molecular formula C12H20ClN3OS and a molecular weight of 289.83 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119780565
Molecular FormulaC12H20ClN3OS
Molecular Weight289.83 g/mol
Exact Mass289.10
IUPAC Name2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCC1(CNC(=O)c2csc(CN)n2)CCCC1.Cl
InChIInChI=1S/C12H19N3OS.ClH/c1-12(4-2-3-5-12)8-14-11(16)9-7-17-10(6-13)15-9;/h7H,2-6,8,13H2,1H3,(H,14,16);1H
InChIKeyFZKDKYSXDBARRK-UHFFFAOYSA-N
XLogP2.33
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.83
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(1-ethylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119812243
2-(aminomethyl)-N-[[1-(2-methylpropyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide
CID 119821394
1-[[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312244
2-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749955
2-(aminomethyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide;trihydrochloride
CID 119903545
2-(aminomethyl)-N-(1-methylcyclopropyl)-1,3-thiazole-4-carboxamide
CID 115739557
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884553
2-(aminomethyl)-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119747066
2-(aminomethyl)-N-[1-(propylcarbamoyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119767199
2-(aminomethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119770275
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119884554
2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119733910

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119780565) is 2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is CC1(CNC(=O)c2csc(CN)n2)CCCC1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is FZKDKYSXDBARRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.ClH/c1-12(4-2-3-5-12)8-14-11(16)9-7-17-10(6-13)15-9;/h7H,2-6,8,13H2,1H3,(H,14,16);1H.
What are the key properties of 2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 289.83 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(1-methylcyclopentyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119780565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).