3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide

C12H13N3O2S2 — CID 39404850

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide
SMILESNc1nc(-c2cccc(S(=O)(=O)NC3CC3)c2)cs1
InChIInChI=1S/C12H13N3O2S2/c13-12-14-11(7-18-12)8-2-1-3-10(6-8)19(16,17)15-9-4-5-9/h1-3,6-7,9,15H,4-5H2,(H2,13,14)
InChIKeyDZYCKOMUUUELCT-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.83
Rot. Bonds4

About 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide

3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide (PubChem CID 39404850) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide
PubChem CID39404850
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide
SMILESNc1nc(-c2cccc(S(=O)(=O)NC3CC3)c2)cs1
InChIInChI=1S/C12H13N3O2S2/c13-12-14-11(7-18-12)8-2-1-3-10(6-8)19(16,17)15-9-4-5-9/h1-3,6-7,9,15H,4-5H2,(H2,13,14)
InChIKeyDZYCKOMUUUELCT-UHFFFAOYSA-N
XLogP1.83
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-aminopyridazin-3-yl)-N-cyclopropylbenzenesulfonamide
CID 178030384
3-(6-amino-3-methyl-2-pyridinyl)-N-cyclopropylbenzenesulfonamide
CID 140766860
4-(2-amino-1,3-thiazol-4-yl)-N-cyclopentylbenzenesulfonamide;4-(2-bromoacetyl)-N-cyclopentylbenzenesulfonamide
CID 161392591
3-(cyclopropylsulfamoyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667861
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-cyclopropylbenzenesulfonamide
CID 126782366
3-(cyclopentylsulfamoyl)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 39299392
4-(3-cyclopropyloxyphenyl)-1,3-thiazol-2-amine
CID 154668725
3-amino-N-[4-(2-amino-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 100974636
N-cyclopropyl-3-(2-propan-2-yl-3-pyridinyl)benzenesulfonamide
CID 135215672
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 126787693
N-(4-aminocyclohexyl)-3-bromobenzenesulfonamide
CID 62314743

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide (CID 39404850) is 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide is Nc1nc(-c2cccc(S(=O)(=O)NC3CC3)c2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is DZYCKOMUUUELCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c13-12-14-11(7-18-12)8-2-1-3-10(6-8)19(16,17)15-9-4-5-9/h1-3,6-7,9,15H,4-5H2,(H2,13,14).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide?
3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 295.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 39404850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).