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

C25H18N2S2 — CID 155543720

IUPAC5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESCc1sc(-c2ccc(-c3csc(-c4ccccc4)n3)cc2)nc1-c1ccccc1
InChIInChI=1S/C25H18N2S2/c1-17-23(19-8-4-2-5-9-19)27-25(29-17)21-14-12-18(13-15-21)22-16-28-24(26-22)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyDVXHRDGSPCCICW-UHFFFAOYSA-N
MW410.57 g/mol
LogP7.58
Rot. Bonds4

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

5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (PubChem CID 155543720) has the molecular formula C25H18N2S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
PubChem CID155543720
Molecular FormulaC25H18N2S2
Molecular Weight410.57 g/mol
Exact Mass410.09
IUPAC Name5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole
SMILESCc1sc(-c2ccc(-c3csc(-c4ccccc4)n3)cc2)nc1-c1ccccc1
InChIInChI=1S/C25H18N2S2/c1-17-23(19-8-4-2-5-9-19)27-25(29-17)21-14-12-18(13-15-21)22-16-28-24(26-22)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyDVXHRDGSPCCICW-UHFFFAOYSA-N
XLogP7.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.57
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The IUPAC name of 5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole (CID 155543720) is 5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is Cc1sc(-c2ccc(-c3csc(-c4ccccc4)n3)cc2)nc1-c1ccccc1.
What is the InChIKey of 5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
The InChIKey is DVXHRDGSPCCICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2S2/c1-17-23(19-8-4-2-5-9-19)27-25(29-17)21-14-12-18(13-15-21)22-16-28-24(26-22)20-10-6-3-7-11-20/h2-16H,1H3.
What are the key properties of 5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole?
5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole has a molecular weight of 410.57 g/mol, XLogP of 7.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-phenyl-2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 155543720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).