2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride

C13H21ClN4O2S — CID 120635817

IUPAC2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NC2CCCCC2C(N)=O)cs1
InChIInChI=1S/C13H20N4O2S.ClH/c14-6-5-11-16-10(7-20-11)13(19)17-9-4-2-1-3-8(9)12(15)18;/h7-9H,1-6,14H2,(H2,15,18)(H,17,19);1H
InChIKeyGCEMVRKFGYKTJS-UHFFFAOYSA-N
MW332.86 g/mol
LogP0.84
Rot. Bonds5

About 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120635817) has the molecular formula C13H21ClN4O2S and a molecular weight of 332.86 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120635817
Molecular FormulaC13H21ClN4O2S
Molecular Weight332.86 g/mol
Exact Mass332.11
IUPAC Name2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NC2CCCCC2C(N)=O)cs1
InChIInChI=1S/C13H20N4O2S.ClH/c14-6-5-11-16-10(7-20-11)13(19)17-9-4-2-1-3-8(9)12(15)18;/h7-9H,1-6,14H2,(H2,15,18)(H,17,19);1H
InChIKeyGCEMVRKFGYKTJS-UHFFFAOYSA-N
XLogP0.84
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66376467
2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120628332
2-(2-aminoethyl)-N-(5-methyl-2-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625820
2-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]-1,3-thiazole-4-carboxamide
CID 103811444
2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 66389073
2-(2-aminoethyl)-N-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619724
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(2-aminoethyl)-N-[(2-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389969
N-[2-(aminomethyl)cyclohexyl]-2-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 119611593

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride (CID 120635817) is 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)NC2CCCCC2C(N)=O)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is GCEMVRKFGYKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S.ClH/c14-6-5-11-16-10(7-20-11)13(19)17-9-4-2-1-3-8(9)12(15)18;/h7-9H,1-6,14H2,(H2,15,18)(H,17,19);1H.
What are the key properties of 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 332.86 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120635817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).