3-phenyl-1,2-thiazole

C9H7NS — CID 595044

IUPAC3-phenyl-1,2-thiazole
SMILESc1ccc(-c2ccsn2)cc1
InChIInChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
InChIKeyQTRJTMPLVIRDHO-UHFFFAOYSA-N
MW161.23 g/mol
LogP2.81
Rot. Bonds1

About 3-phenyl-1,2-thiazole

3-phenyl-1,2-thiazole (PubChem CID 595044) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is 3-phenyl-1,2-thiazole.

Molecular Properties

Compound Name3-phenyl-1,2-thiazole
PubChem CID595044
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name3-phenyl-1,2-thiazole
SMILESc1ccc(-c2ccsn2)cc1
InChIInChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H
InChIKeyQTRJTMPLVIRDHO-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 3-phenyl-1,2-thiazole?
The IUPAC name of 3-phenyl-1,2-thiazole (CID 595044) is 3-phenyl-1,2-thiazole.
What is the SMILES notation for 3-phenyl-1,2-thiazole?
The canonical SMILES for 3-phenyl-1,2-thiazole is c1ccc(-c2ccsn2)cc1.
What is the InChIKey of 3-phenyl-1,2-thiazole?
The InChIKey is QTRJTMPLVIRDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H.
What are the key properties of 3-phenyl-1,2-thiazole?
3-phenyl-1,2-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 3-phenyl-1,2-thiazole is sourced from PubChem (CID 595044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).