2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole

C17H15NS — CID 4654127

IUPAC2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
SMILESCc1ccc(-c2nc(C)sc2-c2ccccc2)cc1
InChIInChI=1S/C17H15NS/c1-12-8-10-14(11-9-12)16-17(19-13(2)18-16)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyDCETUSDRQHWQAW-UHFFFAOYSA-N
MW265.38 g/mol
LogP5.09
Rot. Bonds2

About 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole

2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole (PubChem CID 4654127) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
PubChem CID4654127
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole
SMILESCc1ccc(-c2nc(C)sc2-c2ccccc2)cc1
InChIInChI=1S/C17H15NS/c1-12-8-10-14(11-9-12)16-17(19-13(2)18-16)15-6-4-3-5-7-15/h3-11H,1-2H3
InChIKeyDCETUSDRQHWQAW-UHFFFAOYSA-N
XLogP5.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(4-methylphenyl)-4-phenyl-1,3-thiazole
CID 139241050
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600
4-bromo-2-methyl-5-phenyl-1,3-thiazole
CID 86189921
2-methyl-4-(4-phenylphenyl)-1,3-thiazol-5-amine
CID 62082548
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
2-methyl-4-[(4-methylphenyl)-phenylmethyl]-5-phenyl-1,3-thiazole
CID 46947499
5-bromo-2-methyl-4-phenyl-1,3-thiazole
CID 3613557
2-methyl-N'-(4-methylbenzoyl)-4-phenyl-1,3-thiazole-5-carbohydrazide
CID 9086784
2-methyl-5-phenoxy-4-phenyl-1,3-thiazole
CID 154105354
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2,4-dimethyl-5-phenyl-1,3-thiazole;fluoroform
CID 159404933
S-(4-methylphenyl) 2-methyl-5-phenyl-1,3-thiazole-4-carbothioate
CID 43854669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole (CID 4654127) is 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole is Cc1ccc(-c2nc(C)sc2-c2ccccc2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole?
The InChIKey is DCETUSDRQHWQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-12-8-10-14(11-9-12)16-17(19-13(2)18-16)15-6-4-3-5-7-15/h3-11H,1-2H3.
What are the key properties of 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole?
2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole has a molecular weight of 265.38 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-5-phenyl-1,3-thiazole is sourced from PubChem (CID 4654127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).