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

C23H20N2O2S2 — CID 10223922

IUPAC4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(C)c2)c1
InChIInChI=1S/C23H20N2O2S2/c1-15-5-4-6-18(13-15)21-22(19-11-12-24-16(2)14-19)28-23(25-21)17-7-9-20(10-8-17)29(3,26)27/h4-14H,1-3H3
InChIKeyYGTCECUHLREAQV-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.56
Rot. Bonds4

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

4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole (PubChem CID 10223922) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
PubChem CID10223922
Molecular FormulaC23H20N2O2S2
Molecular Weight420.56 g/mol
Exact Mass420.10
IUPAC Name4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
SMILESCc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(C)c2)c1
InChIInChI=1S/C23H20N2O2S2/c1-15-5-4-6-18(13-15)21-22(19-11-12-24-16(2)14-19)28-23(25-21)17-7-9-20(10-8-17)29(3,26)27/h4-14H,1-3H3
InChIKeyYGTCECUHLREAQV-UHFFFAOYSA-N
XLogP5.56
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 7202342

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole (CID 10223922) is 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole is Cc1cccc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)sc2-c2ccnc(C)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole?
The InChIKey is YGTCECUHLREAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-15-5-4-6-18(13-15)21-22(19-11-12-24-16(2)14-19)28-23(25-21)17-7-9-20(10-8-17)29(3,26)27/h4-14H,1-3H3.
What are the key properties of 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole?
4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole has a molecular weight of 420.56 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 10223922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).