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

C23H20N2O2S2 — CID 11633147

IUPAC4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)c(-c3ccnc(C)c3)s2)cc1
InChIInChI=1S/C23H20N2O2S2/c1-15-7-9-20(10-8-15)29(26,27)23-25-21(18-6-4-5-16(2)13-18)22(28-23)19-11-12-24-17(3)14-19/h4-14H,1-3H3
InChIKeyRJAQQLMNOOUTMY-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.63
Rot. Bonds4

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

4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole (PubChem CID 11633147) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole
PubChem CID11633147
Molecular FormulaC23H20N2O2S2
Molecular Weight420.56 g/mol
Exact Mass420.10
IUPAC Name4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole
SMILESCc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)c(-c3ccnc(C)c3)s2)cc1
InChIInChI=1S/C23H20N2O2S2/c1-15-7-9-20(10-8-15)29(26,27)23-25-21(18-6-4-5-16(2)13-18)22(28-23)19-11-12-24-17(3)14-19/h4-14H,1-3H3
InChIKeyRJAQQLMNOOUTMY-UHFFFAOYSA-N
XLogP5.63
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 ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole (CID 11633147) is 4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole is Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)c(-c3ccnc(C)c3)s2)cc1.
What is the InChIKey of 4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole?
The InChIKey is RJAQQLMNOOUTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-15-7-9-20(10-8-15)29(26,27)23-25-21(18-6-4-5-16(2)13-18)22(28-23)19-11-12-24-17(3)14-19/h4-14H,1-3H3.
What are the key properties of 4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole?
4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole has a molecular weight of 420.56 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-2-(4-methylphenyl)sulfonyl-5-(2-methyl-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 11633147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).