2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine

C10H12N4O2S2 — CID 114804253

IUPAC2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
SMILESNc1ccc2nc(NS(=O)(=O)NC3CC3)sc2c1
InChIInChI=1S/C10H12N4O2S2/c11-6-1-4-8-9(5-6)17-10(12-8)14-18(15,16)13-7-2-3-7/h1,4-5,7,13H,2-3,11H2,(H,12,14)
InChIKeyJCANQZVYGGBVKT-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.29
Rot. Bonds4

About 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine

2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine (PubChem CID 114804253) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
PubChem CID114804253
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine
SMILESNc1ccc2nc(NS(=O)(=O)NC3CC3)sc2c1
InChIInChI=1S/C10H12N4O2S2/c11-6-1-4-8-9(5-6)17-10(12-8)14-18(15,16)13-7-2-3-7/h1,4-5,7,13H,2-3,11H2,(H,12,14)
InChIKeyJCANQZVYGGBVKT-UHFFFAOYSA-N
XLogP1.29
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-methylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63231366
N-(6-amino-1,3-benzothiazol-2-yl)-4-chlorobenzenesulfonamide
CID 28528726
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
4-(4-aminophenyl)-N-(cyclopropylsulfamoyl)-1,3-thiazol-2-amine
CID 114804526
N-(6-amino-1,3-benzothiazol-2-yl)-3-fluoropyridine-2-sulfonamide
CID 103298546
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanesulfonamide
CID 108782575
3-[(6-amino-1,3-benzothiazol-2-yl)amino]-1-methylpyrrolidin-2-one
CID 114164231
2-N-(3-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 64748026
3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 106119520
N-(6-amino-1,3-benzothiazol-2-yl)-2-methylsulfonylpropanamide
CID 61024285
N-(6-amino-1,3-benzothiazol-2-yl)-2-hydroxyacetamide
CID 43165023
2-N-(2-ethylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63402632

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine (CID 114804253) is 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine is Nc1ccc2nc(NS(=O)(=O)NC3CC3)sc2c1.
What is the InChIKey of 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine?
The InChIKey is JCANQZVYGGBVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c11-6-1-4-8-9(5-6)17-10(12-8)14-18(15,16)13-7-2-3-7/h1,4-5,7,13H,2-3,11H2,(H,12,14).
What are the key properties of 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine?
2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine has a molecular weight of 284.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylsulfamoyl)-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 114804253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).