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

C16H13NS — CID 155774637

IUPAC3-(4-methylphenyl)-5-phenyl-1,2-thiazole
SMILESCc1ccc(-c2cc(-c3ccccc3)sn2)cc1
InChIInChI=1S/C16H13NS/c1-12-7-9-13(10-8-12)15-11-16(18-17-15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyWVVDOECBEWRKHG-UHFFFAOYSA-N
MW251.35 g/mol
LogP4.79
Rot. Bonds2

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

3-(4-methylphenyl)-5-phenyl-1,2-thiazole (PubChem CID 155774637) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-phenyl-1,2-thiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-phenyl-1,2-thiazole
PubChem CID155774637
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC Name3-(4-methylphenyl)-5-phenyl-1,2-thiazole
SMILESCc1ccc(-c2cc(-c3ccccc3)sn2)cc1
InChIInChI=1S/C16H13NS/c1-12-7-9-13(10-8-12)15-11-16(18-17-15)14-5-3-2-4-6-14/h2-11H,1H3
InChIKeyWVVDOECBEWRKHG-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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Related Compounds

1,2-Benzisothiazole, 3-methyl-
CID 80321
3-Methyl-5-phenyl-1,2-thiazole
CID 600269
3-Phenyl-1,2-thiazol-5-amine
CID 12603879
3-Phenyl-1,2-benzisothiazole
CID 337917
(3-Phenyl-1,2-thiazol-5-yl)methanamine
CID 65814892
3-Methyl-5-[(1-methylpiperidin-4-yl)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
CID 44457563
(3-Methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanamine
CID 44457760
3-Methyl-5-[(1-methylpiperidin-4-ylidene)-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
CID 44457887
3-Methyl-5-[(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-1,2-thiazole
CID 44458009
3-Methyl-5-[piperidin-1-yl-(4-propan-2-ylphenyl)methyl]-1,2-thiazole
CID 44458056
5-[(4-Butylphenyl)-(4-methylpiperazin-1-yl)methyl]-3-methyl-1,2-thiazole
CID 44458150
3-[4-(Trifluoromethyl)phenyl]-1,2-benzothiazole
CID 76546011

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-phenyl-1,2-thiazole?
The IUPAC name of 3-(4-methylphenyl)-5-phenyl-1,2-thiazole (CID 155774637) is 3-(4-methylphenyl)-5-phenyl-1,2-thiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-phenyl-1,2-thiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-phenyl-1,2-thiazole is Cc1ccc(-c2cc(-c3ccccc3)sn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-phenyl-1,2-thiazole?
The InChIKey is WVVDOECBEWRKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NS/c1-12-7-9-13(10-8-12)15-11-16(18-17-15)14-5-3-2-4-6-14/h2-11H,1H3.
What are the key properties of 3-(4-methylphenyl)-5-phenyl-1,2-thiazole?
3-(4-methylphenyl)-5-phenyl-1,2-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 3-(4-methylphenyl)-5-phenyl-1,2-thiazole is sourced from PubChem (CID 155774637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).