2-(3-methylphenyl)-5-phenyl-1,3-thiazole

C16H13NS — CID 122596292

IUPAC2-(3-methylphenyl)-5-phenyl-1,3-thiazole
SMILESCc1cccc(-c2ncc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H13NS/c1-12-6-5-9-14(10-12)16-17-11-15(18-16)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyPOPITORSPXXMMT-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.79
Rot. Bonds2

About 2-(3-methylphenyl)-5-phenyl-1,3-thiazole

2-(3-methylphenyl)-5-phenyl-1,3-thiazole (PubChem CID 122596292) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(3-methylphenyl)-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-5-phenyl-1,3-thiazole
PubChem CID122596292
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name2-(3-methylphenyl)-5-phenyl-1,3-thiazole
SMILESCc1cccc(-c2ncc(-c3ccccc3)s2)c1
InChIInChI=1S/C16H13NS/c1-12-6-5-9-14(10-12)16-17-11-15(18-16)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyPOPITORSPXXMMT-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-5-phenyl-1,3-thiazole?
The IUPAC name of 2-(3-methylphenyl)-5-phenyl-1,3-thiazole (CID 122596292) is 2-(3-methylphenyl)-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-(3-methylphenyl)-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-(3-methylphenyl)-5-phenyl-1,3-thiazole is Cc1cccc(-c2ncc(-c3ccccc3)s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-5-phenyl-1,3-thiazole?
The InChIKey is POPITORSPXXMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-12-6-5-9-14(10-12)16-17-11-15(18-16)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 2-(3-methylphenyl)-5-phenyl-1,3-thiazole?
2-(3-methylphenyl)-5-phenyl-1,3-thiazole has a molecular weight of 251.35 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-5-phenyl-1,3-thiazole is sourced from PubChem (CID 122596292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).