2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C14H19ClN4O3S2 — CID 120618119

IUPAC2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(NC(=O)c2csc(CCN)n2)ccc1C.Cl
InChIInChI=1S/C14H18N4O3S2.ClH/c1-9-3-4-10(7-12(9)23(20,21)16-2)17-14(19)11-8-22-13(18-11)5-6-15;/h3-4,7-8,16H,5-6,15H2,1-2H3,(H,17,19);1H
InChIKeyNKNJATRNGVKFNU-UHFFFAOYSA-N
MW390.92 g/mol
LogP1.53
Rot. Bonds6

About 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 120618119) has the molecular formula C14H19ClN4O3S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID120618119
Molecular FormulaC14H19ClN4O3S2
Molecular Weight390.92 g/mol
Exact Mass390.06
IUPAC Name2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCNS(=O)(=O)c1cc(NC(=O)c2csc(CCN)n2)ccc1C.Cl
InChIInChI=1S/C14H18N4O3S2.ClH/c1-9-3-4-10(7-12(9)23(20,21)16-2)17-14(19)11-8-22-13(18-11)5-6-15;/h3-4,7-8,16H,5-6,15H2,1-2H3,(H,17,19);1H
InChIKeyNKNJATRNGVKFNU-UHFFFAOYSA-N
XLogP1.53
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[3-(difluoromethoxy)-4-methylphenyl]-1,3-thiazole-4-carboxamide
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2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
2-(2-aminoethyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634504
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
2-(2-aminoethyl)-N-(4-fluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 114839656
ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
CID 120618634
2-(2-aminoethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617100
2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621017
4-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-2-fluorobenzoic acid
CID 107795142

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 120618119) is 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is CNS(=O)(=O)c1cc(NC(=O)c2csc(CCN)n2)ccc1C.Cl.
What is the InChIKey of 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is NKNJATRNGVKFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2.ClH/c1-9-3-4-10(7-12(9)23(20,21)16-2)17-14(19)11-8-22-13(18-11)5-6-15;/h3-4,7-8,16H,5-6,15H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120618119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).