5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine

C16H15N3O2S2 — CID 87904317

IUPAC5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc(NCc3ccccc3)cc2)s1
InChIInChI=1S/C16H15N3O2S2/c17-16-19-11-15(22-16)23(20,21)14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9,11,18H,10H2,(H2,17,19)
InChIKeyWPGAKBZWRKDZCG-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.17
Rot. Bonds5

About 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine

5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine (PubChem CID 87904317) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine
PubChem CID87904317
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine
SMILESNc1ncc(S(=O)(=O)c2ccc(NCc3ccccc3)cc2)s1
InChIInChI=1S/C16H15N3O2S2/c17-16-19-11-15(22-16)23(20,21)14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9,11,18H,10H2,(H2,17,19)
InChIKeyWPGAKBZWRKDZCG-UHFFFAOYSA-N
XLogP3.17
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine 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 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine (CID 87904317) is 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine is Nc1ncc(S(=O)(=O)c2ccc(NCc3ccccc3)cc2)s1.
What is the InChIKey of 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine?
The InChIKey is WPGAKBZWRKDZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c17-16-19-11-15(22-16)23(20,21)14-8-6-13(7-9-14)18-10-12-4-2-1-3-5-12/h1-9,11,18H,10H2,(H2,17,19).
What are the key properties of 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine?
5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine has a molecular weight of 345.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzylamino)phenyl]sulfonyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87904317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).