[4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone

C18H15NOS — CID 119057481

IUPAC[4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone
SMILESCc1ccccc1-c1cc(C(=O)c2nccs2)ccc1C
InChIInChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3
InChIKeyWEOQMVQEKRDUIM-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.66
Rot. Bonds3

About [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone

[4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone (PubChem CID 119057481) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone
PubChem CID119057481
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Name[4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone
SMILESCc1ccccc1-c1cc(C(=O)c2nccs2)ccc1C
InChIInChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3
InChIKeyWEOQMVQEKRDUIM-UHFFFAOYSA-N
XLogP4.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone (CID 119057481) is [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone is Cc1ccccc1-c1cc(C(=O)c2nccs2)ccc1C.
What is the InChIKey of [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is WEOQMVQEKRDUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3.
What are the key properties of [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone?
[4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 293.39 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 119057481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).