3,4-diphenyl-1,2-thiazole

C15H11NS — CID 13048460

IUPAC3,4-diphenyl-1,2-thiazole
SMILESc1ccc(-c2csnc2-c2ccccc2)cc1
InChIInChI=1S/C15H11NS/c1-3-7-12(8-4-1)14-11-17-16-15(14)13-9-5-2-6-10-13/h1-11H
InChIKeyZMXWJWMBKFBJNH-UHFFFAOYSA-N
MW237.33 g/mol
LogP4.48
Rot. Bonds2

About 3,4-diphenyl-1,2-thiazole

3,4-diphenyl-1,2-thiazole (PubChem CID 13048460) has the molecular formula C15H11NS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3,4-diphenyl-1,2-thiazole.

Molecular Properties

Compound Name3,4-diphenyl-1,2-thiazole
PubChem CID13048460
Molecular FormulaC15H11NS
Molecular Weight237.33 g/mol
Exact Mass237.06
IUPAC Name3,4-diphenyl-1,2-thiazole
SMILESc1ccc(-c2csnc2-c2ccccc2)cc1
InChIInChI=1S/C15H11NS/c1-3-7-12(8-4-1)14-11-17-16-15(14)13-9-5-2-6-10-13/h1-11H
InChIKeyZMXWJWMBKFBJNH-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1,2-thiazole?
The IUPAC name of 3,4-diphenyl-1,2-thiazole (CID 13048460) is 3,4-diphenyl-1,2-thiazole.
What is the SMILES notation for 3,4-diphenyl-1,2-thiazole?
The canonical SMILES for 3,4-diphenyl-1,2-thiazole is c1ccc(-c2csnc2-c2ccccc2)cc1.
What is the InChIKey of 3,4-diphenyl-1,2-thiazole?
The InChIKey is ZMXWJWMBKFBJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NS/c1-3-7-12(8-4-1)14-11-17-16-15(14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 3,4-diphenyl-1,2-thiazole?
3,4-diphenyl-1,2-thiazole has a molecular weight of 237.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-1,2-thiazole is sourced from PubChem (CID 13048460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).