2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride

C15H19ClN4O4S2 — CID 119797494

IUPAC2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2csc(CN)n2)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C15H18N4O4S2.ClH/c1-23-12-5-4-10(6-13(12)25(21,22)19-9-2-3-9)17-15(20)11-8-24-14(7-16)18-11;/h4-6,8-9,19H,2-3,7,16H2,1H3,(H,17,20);1H
InChIKeyHJVRBHNYLGTKHC-UHFFFAOYSA-N
MW418.93 g/mol
LogP1.73
Rot. Bonds7

About 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride

2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119797494) has the molecular formula C15H19ClN4O4S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119797494
Molecular FormulaC15H19ClN4O4S2
Molecular Weight418.93 g/mol
Exact Mass418.05
IUPAC Name2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2csc(CN)n2)cc1S(=O)(=O)NC1CC1.Cl
InChIInChI=1S/C15H18N4O4S2.ClH/c1-23-12-5-4-10(6-13(12)25(21,22)19-9-2-3-9)17-15(20)11-8-24-14(7-16)18-11;/h4-6,8-9,19H,2-3,7,16H2,1H3,(H,17,20);1H
InChIKeyHJVRBHNYLGTKHC-UHFFFAOYSA-N
XLogP1.73
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119331466
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
CID 119331495
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 119797467
2-(aminomethyl)-N-(3-chloro-4-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide
CID 119748052
2-(2-aminoethyl)-N-[3-[2-(cyclopropylamino)-2-oxoethoxy]-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621658
2-(aminomethyl)-N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119713279
(2S)-2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119331476
2-(aminomethyl)-N-(3,4-dipropoxyphenyl)-1,3-thiazole-4-carboxamide
CID 119679447
2-(aminomethyl)-N-[4-(propylsulfonylamino)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119754236
2-(aminomethyl)-N-(3-cyclopentyloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119714966
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
CID 119331491

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride (CID 119797494) is 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride is COc1ccc(NC(=O)c2csc(CN)n2)cc1S(=O)(=O)NC1CC1.Cl.
What is the InChIKey of 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is HJVRBHNYLGTKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S2.ClH/c1-23-12-5-4-10(6-13(12)25(21,22)19-9-2-3-9)17-15(20)11-8-24-14(7-16)18-11;/h4-6,8-9,19H,2-3,7,16H2,1H3,(H,17,20);1H.
What are the key properties of 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride?
2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 418.93 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119797494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).