2-phenyl-4-pyridin-3-yl-1,3-thiazole

C14H10N2S — CID 2725998

IUPAC2-phenyl-4-pyridin-3-yl-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C14H10N2S/c1-2-5-11(6-3-1)14-16-13(10-17-14)12-7-4-8-15-9-12/h1-10H
InChIKeyODKCSOPYXDQUAG-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.87
Rot. Bonds2

About 2-phenyl-4-pyridin-3-yl-1,3-thiazole

2-phenyl-4-pyridin-3-yl-1,3-thiazole (PubChem CID 2725998) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-phenyl-4-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-pyridin-3-yl-1,3-thiazole
PubChem CID2725998
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name2-phenyl-4-pyridin-3-yl-1,3-thiazole
SMILESc1ccc(-c2nc(-c3cccnc3)cs2)cc1
InChIInChI=1S/C14H10N2S/c1-2-5-11(6-3-1)14-16-13(10-17-14)12-7-4-8-15-9-12/h1-10H
InChIKeyODKCSOPYXDQUAG-UHFFFAOYSA-N
XLogP3.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-phenyl-4-pyridin-3-yl-1,3-thiazole (CID 2725998) is 2-phenyl-4-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-pyridin-3-yl-1,3-thiazole is c1ccc(-c2nc(-c3cccnc3)cs2)cc1.
What is the InChIKey of 2-phenyl-4-pyridin-3-yl-1,3-thiazole?
The InChIKey is ODKCSOPYXDQUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c1-2-5-11(6-3-1)14-16-13(10-17-14)12-7-4-8-15-9-12/h1-10H.
What are the key properties of 2-phenyl-4-pyridin-3-yl-1,3-thiazole?
2-phenyl-4-pyridin-3-yl-1,3-thiazole has a molecular weight of 238.32 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 2725998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).