N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide

C17H27N3OS — CID 119612126

IUPACN-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)NC1CCCCC1CN
InChIInChI=1S/C17H27N3OS/c1-11-15(22-17(19-11)12-6-2-3-7-12)16(21)20-14-9-5-4-8-13(14)10-18/h12-14H,2-10,18H2,1H3,(H,20,21)
InChIKeyDLFJNHZSYNRQFL-UHFFFAOYSA-N
MW321.49 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide

N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 119612126) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID119612126
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C2CCCC2)sc1C(=O)NC1CCCCC1CN
InChIInChI=1S/C17H27N3OS/c1-11-15(22-17(19-11)12-6-2-3-7-12)16(21)20-14-9-5-4-8-13(14)10-18/h12-14H,2-10,18H2,1H3,(H,20,21)
InChIKeyDLFJNHZSYNRQFL-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide
CID 119611575
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119611574
N-[2-(aminomethyl)cyclopentyl]-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119603790
N-[2-(aminomethyl)cyclohexyl]-4-methyl-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610624
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119588404
2-cyclopentyl-4-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119503859
3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid
CID 154845596
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 119611691
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648
2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119433713
N-[2-(aminomethyl)cyclohexyl]-3-methyl-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;hydrochloride
CID 119612256

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide (CID 119612126) is N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C2CCCC2)sc1C(=O)NC1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DLFJNHZSYNRQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-11-15(22-17(19-11)12-6-2-3-7-12)16(21)20-14-9-5-4-8-13(14)10-18/h12-14H,2-10,18H2,1H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 321.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-2-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119612126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).