phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone

C16H11NOS — CID 3780158

IUPACphenyl-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H11NOS/c18-15(12-7-3-1-4-8-12)14-11-17-16(19-14)13-9-5-2-6-10-13/h1-11H
InChIKeyLWTNKOJBANXELS-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.04
Rot. Bonds3

About phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone

phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 3780158) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID3780158
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Namephenyl-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1ccccc1)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H11NOS/c18-15(12-7-3-1-4-8-12)14-11-17-16(19-14)13-9-5-2-6-10-13/h1-11H
InChIKeyLWTNKOJBANXELS-UHFFFAOYSA-N
XLogP4.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone (CID 3780158) is phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone is O=C(c1ccccc1)c1cnc(-c2ccccc2)s1.
What is the InChIKey of phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is LWTNKOJBANXELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c18-15(12-7-3-1-4-8-12)14-11-17-16(19-14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone?
phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 265.34 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 3780158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).