2-phenyl-1,3-thiazole

C9H7NS — CID 547494

IUPAC2-phenyl-1,3-thiazole
SMILESc1ccc(-c2nccs2)cc1
InChIInChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H
InChIKeyWYKHSBAVLOPISI-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.81
Rot. Bonds1

About 2-phenyl-1,3-thiazole

2-phenyl-1,3-thiazole (PubChem CID 547494) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-1,3-thiazole
PubChem CID547494
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name2-phenyl-1,3-thiazole
SMILESc1ccc(-c2nccs2)cc1
InChIInChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H
InChIKeyWYKHSBAVLOPISI-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-thiazole?
The IUPAC name of 2-phenyl-1,3-thiazole (CID 547494) is 2-phenyl-1,3-thiazole.
What is the SMILES notation for 2-phenyl-1,3-thiazole?
The canonical SMILES for 2-phenyl-1,3-thiazole is c1ccc(-c2nccs2)cc1.
What is the InChIKey of 2-phenyl-1,3-thiazole?
The InChIKey is WYKHSBAVLOPISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H.
What are the key properties of 2-phenyl-1,3-thiazole?
2-phenyl-1,3-thiazole has a molecular weight of 161.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-thiazole is sourced from PubChem (CID 547494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).