4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole

C28H19N3S3 — CID 139226873

IUPAC4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1csc(-c2ccc(-c3csc(-c4ccccc4)n3)cc2)n1
InChIInChI=1S/C28H19N3S3/c1-18-25(34-28(29-18)21-10-6-3-7-11-21)24-17-33-27(31-24)22-14-12-19(13-15-22)23-16-32-26(30-23)20-8-4-2-5-9-20/h2-17H,1H3
InChIKeyKCVVCCCWQOBICH-UHFFFAOYSA-N
MW493.68 g/mol
LogP8.70
Rot. Bonds5

About 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole

4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole (PubChem CID 139226873) has the molecular formula C28H19N3S3 and a molecular weight of 493.68 g/mol. Its IUPAC name is 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole
PubChem CID139226873
Molecular FormulaC28H19N3S3
Molecular Weight493.68 g/mol
Exact Mass493.07
IUPAC Name4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1-c1csc(-c2ccc(-c3csc(-c4ccccc4)n3)cc2)n1
InChIInChI=1S/C28H19N3S3/c1-18-25(34-28(29-18)21-10-6-3-7-11-21)24-17-33-27(31-24)22-14-12-19(13-15-22)23-16-32-26(30-23)20-8-4-2-5-9-20/h2-17H,1H3
InChIKeyKCVVCCCWQOBICH-UHFFFAOYSA-N
XLogP8.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.68
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416158
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5-imidazo[1,2-a]pyridin-2-yl-4-methyl-2-phenyl-1,3-thiazole
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2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
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4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
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4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole (CID 139226873) is 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole is Cc1nc(-c2ccccc2)sc1-c1csc(-c2ccc(-c3csc(-c4ccccc4)n3)cc2)n1.
What is the InChIKey of 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole?
The InChIKey is KCVVCCCWQOBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3S3/c1-18-25(34-28(29-18)21-10-6-3-7-11-21)24-17-33-27(31-24)22-14-12-19(13-15-22)23-16-32-26(30-23)20-8-4-2-5-9-20/h2-17H,1H3.
What are the key properties of 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole?
4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole has a molecular weight of 493.68 g/mol, XLogP of 8.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 139226873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).