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

C16H13NO2S2 — CID 15354638

IUPAC4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13NO2S2/c1-12-7-9-14(10-8-12)21(18,19)15-11-20-16(17-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyYZAMVSQPFOKJOA-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.95
Rot. Bonds3

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

4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole (PubChem CID 15354638) has the molecular formula C16H13NO2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole
PubChem CID15354638
Molecular FormulaC16H13NO2S2
Molecular Weight315.42 g/mol
Exact Mass315.04
IUPAC Name4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C16H13NO2S2/c1-12-7-9-14(10-8-12)21(18,19)15-11-20-16(17-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyYZAMVSQPFOKJOA-UHFFFAOYSA-N
XLogP3.95
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonyl]morpholine
CID 139582355
4-tert-butyl-2-phenyl-1,3-thiazole
CID 608825
4-[2-(4-methylphenyl)ethyl]-2-phenyl-1,3-thiazole
CID 155185709
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 87040272
4-[(2-phenyl-1,3-thiazol-4-yl)sulfonylamino]benzoic acid
CID 167475368
5-(4-methylphenyl)sulfonyl-4-phenyl-1,3-thiazol-2-amine
CID 10758828
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
azulene;4-methylbenzenesulfonic acid
CID 172756596
4-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620529

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole (CID 15354638) is 4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole is Cc1ccc(S(=O)(=O)c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole?
The InChIKey is YZAMVSQPFOKJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S2/c1-12-7-9-14(10-8-12)21(18,19)15-11-20-16(17-15)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole?
4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole has a molecular weight of 315.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 15354638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).