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

C22H18N2S — CID 22932739

IUPAC4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole
SMILESCc1cccc(-c2nc(-c3ccccc3)sc2-c2ccnc(C)c2)c1
InChIInChI=1S/C22H18N2S/c1-15-7-6-10-18(13-15)20-21(19-11-12-23-16(2)14-19)25-22(24-20)17-8-4-3-5-9-17/h3-14H,1-2H3
InChIKeyRXLCACJDEAESEV-UHFFFAOYSA-N
MW342.47 g/mol
LogP6.16
Rot. Bonds3

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

4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole (PubChem CID 22932739) has the molecular formula C22H18N2S and a molecular weight of 342.47 g/mol. Its IUPAC name is 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole
PubChem CID22932739
Molecular FormulaC22H18N2S
Molecular Weight342.47 g/mol
Exact Mass342.12
IUPAC Name4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole
SMILESCc1cccc(-c2nc(-c3ccccc3)sc2-c2ccnc(C)c2)c1
InChIInChI=1S/C22H18N2S/c1-15-7-6-10-18(13-15)20-21(19-11-12-23-16(2)14-19)25-22(24-20)17-8-4-3-5-9-17/h3-14H,1-2H3
InChIKeyRXLCACJDEAESEV-UHFFFAOYSA-N
XLogP6.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.47
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole (CID 22932739) is 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole is Cc1cccc(-c2nc(-c3ccccc3)sc2-c2ccnc(C)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole?
The InChIKey is RXLCACJDEAESEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2S/c1-15-7-6-10-18(13-15)20-21(19-11-12-23-16(2)14-19)25-22(24-20)17-8-4-3-5-9-17/h3-14H,1-2H3.
What are the key properties of 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole?
4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole has a molecular weight of 342.47 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-5-(2-methyl-4-pyridinyl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 22932739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).