1,1-diphenyl-1,3-thiazole

C15H13NS — CID 141012227

IUPAC1,1-diphenyl-1,3-thiazole
SMILESC1=CS(c2ccccc2)(c2ccccc2)C=N1
InChIInChI=1S/C15H13NS/c1-3-7-14(8-4-1)17(12-11-16-13-17)15-9-5-2-6-10-15/h1-13H
InChIKeySPTHAXWVQMACDU-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.42
Rot. Bonds2

About 1,1-diphenyl-1,3-thiazole

1,1-diphenyl-1,3-thiazole (PubChem CID 141012227) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1,1-diphenyl-1,3-thiazole.

Molecular Properties

Compound Name1,1-diphenyl-1,3-thiazole
PubChem CID141012227
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name1,1-diphenyl-1,3-thiazole
SMILESC1=CS(c2ccccc2)(c2ccccc2)C=N1
InChIInChI=1S/C15H13NS/c1-3-7-14(8-4-1)17(12-11-16-13-17)15-9-5-2-6-10-15/h1-13H
InChIKeySPTHAXWVQMACDU-UHFFFAOYSA-N
XLogP4.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-diphenyl-1,3-thiazole 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 1,1-diphenyl-1,3-thiazole?
The IUPAC name of 1,1-diphenyl-1,3-thiazole (CID 141012227) is 1,1-diphenyl-1,3-thiazole.
What is the SMILES notation for 1,1-diphenyl-1,3-thiazole?
The canonical SMILES for 1,1-diphenyl-1,3-thiazole is C1=CS(c2ccccc2)(c2ccccc2)C=N1.
What is the InChIKey of 1,1-diphenyl-1,3-thiazole?
The InChIKey is SPTHAXWVQMACDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-3-7-14(8-4-1)17(12-11-16-13-17)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 1,1-diphenyl-1,3-thiazole?
1,1-diphenyl-1,3-thiazole has a molecular weight of 239.34 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-1,3-thiazole is sourced from PubChem (CID 141012227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).