4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide

C12H15N3O2S2 — CID 5327097

IUPAC4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCC(C)c1cnc(Nc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyLPQUJAANWFHCJV-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.66
Rot. Bonds4

About 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide

4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (PubChem CID 5327097) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
PubChem CID5327097
Molecular FormulaC12H15N3O2S2
Molecular Weight297.40 g/mol
Exact Mass297.06
IUPAC Name4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
SMILESCC(C)c1cnc(Nc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17)
InChIKeyLPQUJAANWFHCJV-UHFFFAOYSA-N
XLogP2.66
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide (CID 5327097) is 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is CC(C)c1cnc(Nc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
The InChIKey is LPQUJAANWFHCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8(2)11-7-14-12(18-11)15-9-3-5-10(6-4-9)19(13,16)17/h3-8H,1-2H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide?
4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 5327097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).