(5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole

C23H19NS — CID 11175245

IUPAC(5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole
SMILESCc1ccc(C2N=C(c3ccccc3)S/C2=C\c2ccccc2)cc1
InChIInChI=1S/C23H19NS/c1-17-12-14-19(15-13-17)22-21(16-18-8-4-2-5-9-18)25-23(24-22)20-10-6-3-7-11-20/h2-16,22H,1H3/b21-16-
InChIKeyRJEBNDLCPBJEET-PGMHBOJBSA-N
MW341.48 g/mol
LogP6.27
Rot. Bonds3

About (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole

(5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole (PubChem CID 11175245) has the molecular formula C23H19NS and a molecular weight of 341.48 g/mol. Its IUPAC name is (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole.

Molecular Properties

Compound Name(5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole
PubChem CID11175245
Molecular FormulaC23H19NS
Molecular Weight341.48 g/mol
Exact Mass341.12
IUPAC Name(5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole
SMILESCc1ccc(C2N=C(c3ccccc3)S/C2=C\c2ccccc2)cc1
InChIInChI=1S/C23H19NS/c1-17-12-14-19(15-13-17)22-21(16-18-8-4-2-5-9-18)25-23(24-22)20-10-6-3-7-11-20/h2-16,22H,1H3/b21-16-
InChIKeyRJEBNDLCPBJEET-PGMHBOJBSA-N
XLogP6.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.48
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole?
The IUPAC name of (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole (CID 11175245) is (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole.
What is the SMILES notation for (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole?
The canonical SMILES for (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole is Cc1ccc(C2N=C(c3ccccc3)S/C2=C\c2ccccc2)cc1.
What is the InChIKey of (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole?
The InChIKey is RJEBNDLCPBJEET-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H19NS/c1-17-12-14-19(15-13-17)22-21(16-18-8-4-2-5-9-18)25-23(24-22)20-10-6-3-7-11-20/h2-16,22H,1H3/b21-16-.
What are the key properties of (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole?
(5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole has a molecular weight of 341.48 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-4-(4-methylphenyl)-2-phenyl-4H-1,3-thiazole is sourced from PubChem (CID 11175245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).