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

C13H22N4OS — CID 122080623

IUPACN-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC(CN)C2CCCCC2)cs1
InChIInChI=1S/C13H22N4OS/c14-6-10(9-4-2-1-3-5-9)17-13(18)11-8-19-12(7-15)16-11/h8-10H,1-7,14-15H2,(H,17,18)
InChIKeyDEOYPGNMMUVRJB-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.24
Rot. Bonds5

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

N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide (PubChem CID 122080623) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
PubChem CID122080623
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NC(CN)C2CCCCC2)cs1
InChIInChI=1S/C13H22N4OS/c14-6-10(9-4-2-1-3-5-9)17-13(18)11-8-19-12(7-15)16-11/h8-10H,1-7,14-15H2,(H,17,18)
InChIKeyDEOYPGNMMUVRJB-UHFFFAOYSA-N
XLogP1.24
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(1-cyclopentylethyl)-1,3-thiazole-4-carboxamide
CID 66379851
N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119590933
N-(2-amino-1-cyclopropylethyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119613700
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(2-aminoethyl)-N-(1-cyclobutylpentyl)-1,3-thiazole-4-carboxamide
CID 120633626
2-(aminomethyl)-N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 66377228
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
2-(aminomethyl)-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 66376260
2-(aminomethyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]-1,3-thiazole-4-carboxamide
CID 119689395
N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119617053
2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817391
2-(aminomethyl)-N-(2-ethylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119732974

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide (CID 122080623) is N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NC(CN)C2CCCCC2)cs1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DEOYPGNMMUVRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c14-6-10(9-4-2-1-3-5-9)17-13(18)11-8-19-12(7-15)16-11/h8-10H,1-7,14-15H2,(H,17,18).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide?
N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 122080623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).