N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide

C15H25N3OS — CID 119611593

IUPACN-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)NC2CCCCC2CN)cs1
InChIInChI=1S/C15H25N3OS/c1-10(2)7-14-17-13(9-20-14)15(19)18-12-6-4-3-5-11(12)8-16/h9-12H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyZTFNNWVYFAZSGZ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.59
Rot. Bonds5

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

N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 119611593) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID119611593
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Cc1nc(C(=O)NC2CCCCC2CN)cs1
InChIInChI=1S/C15H25N3OS/c1-10(2)7-14-17-13(9-20-14)15(19)18-12-6-4-3-5-11(12)8-16/h9-12H,3-8,16H2,1-2H3,(H,18,19)
InChIKeyZTFNNWVYFAZSGZ-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
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
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]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119604930
N-[2-(aminomethyl)cyclohexyl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 119612533
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
2-acetamido-N-[2-(hydroxymethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 103798441

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide (CID 119611593) is N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide is CC(C)Cc1nc(C(=O)NC2CCCCC2CN)cs1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZTFNNWVYFAZSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-10(2)7-14-17-13(9-20-14)15(19)18-12-6-4-3-5-11(12)8-16/h9-12H,3-8,16H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.59, 5 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-(2-methylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119611593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).