5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine

C16H14N2O2S2 — CID 118729170

IUPAC5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C16H14N2O2S2/c1-17-16-18-14(12-8-4-2-5-9-12)15(21-16)22(19,20)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18)
InChIKeyDCHOQSJXFBRXCW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.68
Rot. Bonds4

About 5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine

5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 118729170) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
PubChem CID118729170
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2)c(S(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C16H14N2O2S2/c1-17-16-18-14(12-8-4-2-5-9-12)15(21-16)22(19,20)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18)
InChIKeyDCHOQSJXFBRXCW-UHFFFAOYSA-N
XLogP3.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(benzenesulfonyl)-N-methyl-4-phenyl-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-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine (CID 118729170) is 5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine is CNc1nc(-c2ccccc2)c(S(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is DCHOQSJXFBRXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-17-16-18-14(12-8-4-2-5-9-12)15(21-16)22(19,20)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18).
What are the key properties of 5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine?
5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 330.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 118729170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).