2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride

C14H23ClN4O2S — CID 120628332

IUPAC2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCC(=O)NC2CCCCC2)cs1
InChIInChI=1S/C14H22N4O2S.ClH/c15-7-6-13-18-11(9-21-13)14(20)16-8-12(19)17-10-4-2-1-3-5-10;/h9-10H,1-8,15H2,(H,16,20)(H,17,19);1H
InChIKeyJHUAXATXDKQYCY-UHFFFAOYSA-N
MW346.88 g/mol
LogP1.24
Rot. Bonds6

About 2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120628332) has the molecular formula C14H23ClN4O2S and a molecular weight of 346.88 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120628332
Molecular FormulaC14H23ClN4O2S
Molecular Weight346.88 g/mol
Exact Mass346.12
IUPAC Name2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCl.NCCc1nc(C(=O)NCC(=O)NC2CCCCC2)cs1
InChIInChI=1S/C14H22N4O2S.ClH/c15-7-6-13-18-11(9-21-13)14(20)16-8-12(19)17-10-4-2-1-3-5-10;/h9-10H,1-8,15H2,(H,16,20)(H,17,19);1H
InChIKeyJHUAXATXDKQYCY-UHFFFAOYSA-N
XLogP1.24
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(2-cyclohexyloxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120625194
2-(2-aminoethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618626
2-(2-aminoethyl)-N-(2-carbamoylcyclohexyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635817
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-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618225
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-[(2-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 66389969
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442
2-(2-aminoethyl)-N-(2,2-dicyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 66388619
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502
2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120619837

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120628332) is 2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride is Cl.NCCc1nc(C(=O)NCC(=O)NC2CCCCC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is JHUAXATXDKQYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S.ClH/c15-7-6-13-18-11(9-21-13)14(20)16-8-12(19)17-10-4-2-1-3-5-10;/h9-10H,1-8,15H2,(H,16,20)(H,17,19);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 346.88 g/mol, XLogP of 1.24, 6 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-(cyclohexylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120628332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).