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

C10H17ClN4O2S — CID 120618225

IUPAC2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)CNC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C10H16N4O2S.ClH/c1-14(2)9(15)5-12-10(16)7-6-17-8(13-7)3-4-11;/h6H,3-5,11H2,1-2H3,(H,12,16);1H
InChIKeyYOJJCQUJUCYOEE-UHFFFAOYSA-N
MW292.79 g/mol
LogP-0.12
Rot. Bonds5

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

2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120618225) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120618225
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Name2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)CNC(=O)c1csc(CCN)n1.Cl
InChIInChI=1S/C10H16N4O2S.ClH/c1-14(2)9(15)5-12-10(16)7-6-17-8(13-7)3-4-11;/h6H,3-5,11H2,1-2H3,(H,12,16);1H
InChIKeyYOJJCQUJUCYOEE-UHFFFAOYSA-N
XLogP-0.12
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-[2-(tert-butylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618626
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-[2-(diethylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120639262
2-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622750
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120623914
2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617738
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 106047628
2-(2-aminoethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66390920
2-(2-aminoethyl)-N-(2-methylsulfanylethyl)-1,3-thiazole-4-carboxamide
CID 66388986
2-(2-aminoethyl)-N-(4-ethoxybutyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622259
2-(2-aminoethyl)-N-[2-(dimethylamino)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 66388743

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120618225) is 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride is CN(C)C(=O)CNC(=O)c1csc(CCN)n1.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is YOJJCQUJUCYOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S.ClH/c1-14(2)9(15)5-12-10(16)7-6-17-8(13-7)3-4-11;/h6H,3-5,11H2,1-2H3,(H,12,16);1H.
What are the key properties of 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 292.79 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).