2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C16H10N4OS — CID 90643530

IUPAC2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccncc3)sc2-c2nnco2)cc1
InChIInChI=1S/C16H10N4OS/c1-2-4-11(5-3-1)13-14(15-20-18-10-21-15)22-16(19-13)12-6-8-17-9-7-12/h1-10H
InChIKeyDPDDSLRIUUHLBL-UHFFFAOYSA-N
MW306.35 g/mol
LogP3.92
Rot. Bonds3

About 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 90643530) has the molecular formula C16H10N4OS and a molecular weight of 306.35 g/mol. Its IUPAC name is 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID90643530
Molecular FormulaC16H10N4OS
Molecular Weight306.35 g/mol
Exact Mass306.06
IUPAC Name2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nc(-c3ccncc3)sc2-c2nnco2)cc1
InChIInChI=1S/C16H10N4OS/c1-2-4-11(5-3-1)13-14(15-20-18-10-21-15)22-16(19-13)12-6-8-17-9-7-12/h1-10H
InChIKeyDPDDSLRIUUHLBL-UHFFFAOYSA-N
XLogP3.92
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 90643530) is 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is c1ccc(-c2nc(-c3ccncc3)sc2-c2nnco2)cc1.
What is the InChIKey of 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is DPDDSLRIUUHLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4OS/c1-2-4-11(5-3-1)13-14(15-20-18-10-21-15)22-16(19-13)12-6-8-17-9-7-12/h1-10H.
What are the key properties of 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 306.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 90643530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).