3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride

C14H19ClN4O3S2 — CID 120502082

IUPAC3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1.Cl
InChIInChI=1S/C14H18N4O3S2.ClH/c1-9(10(2)15)13(19)17-11-4-3-5-12(8-11)23(20,21)18-14-16-6-7-22-14;/h3-10H,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyGBOIUJIIGGBZGC-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.29
Rot. Bonds6

About 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride

3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride (PubChem CID 120502082) has the molecular formula C14H19ClN4O3S2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
PubChem CID120502082
Molecular FormulaC14H19ClN4O3S2
Molecular Weight390.92 g/mol
Exact Mass390.06
IUPAC Name3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1.Cl
InChIInChI=1S/C14H18N4O3S2.ClH/c1-9(10(2)15)13(19)17-11-4-3-5-12(8-11)23(20,21)18-14-16-6-7-22-14;/h3-10H,15H2,1-2H3,(H,16,18)(H,17,19);1H
InChIKeyGBOIUJIIGGBZGC-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120502083
4-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide
CID 120563834
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 119341542
1-amino-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119341551
2-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]pentanamide;hydrochloride
CID 119814954
4-amino-3-methoxy-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 120594010
3-(ethylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 114263537
3-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25044262
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
ethane;4-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 90981855
3-(propan-2-yloxymethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 75537839
(2R)-2-(benzenesulfonamido)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 2118573

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride (CID 120502082) is 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride is CC(N)C(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride?
The InChIKey is GBOIUJIIGGBZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2.ClH/c1-9(10(2)15)13(19)17-11-4-3-5-12(8-11)23(20,21)18-14-16-6-7-22-14;/h3-10H,15H2,1-2H3,(H,16,18)(H,17,19);1H.
What are the key properties of 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride?
3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120502082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).