2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

C19H14N2OS2 — CID 1473456

IUPAC2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C19H14N2OS2/c22-17-12-24-19(21-17)10-18-20-16(11-23-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,11-12,22H,10H2
InChIKeyQOOSZVJRQSFDSU-UHFFFAOYSA-N
MW350.47 g/mol
LogP5.23
Rot. Bonds4

About 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol

2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (PubChem CID 1473456) has the molecular formula C19H14N2OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
PubChem CID1473456
Molecular FormulaC19H14N2OS2
Molecular Weight350.47 g/mol
Exact Mass350.05
IUPAC Name2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
SMILESOc1csc(Cc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1
InChIInChI=1S/C19H14N2OS2/c22-17-12-24-19(21-17)10-18-20-16(11-23-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,11-12,22H,10H2
InChIKeyQOOSZVJRQSFDSU-UHFFFAOYSA-N
XLogP5.23
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[4-(2-Fluorophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482068
4-[4-(4-Phenyl-1,3-thiazol-2-yl)phenyl]-1,2,3-thiadiazole
CID 2815209
2-{[4-(4-Bromophenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482076
2-[(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-ol
CID 4318310
4-(3,4-Difluorophenyl)-2-[4-(1,3-dithiolan-2-yl)phenyl]-1,3-thiazole
CID 2742427
4-(4-Biphenylyl)-2-methylthiazole
CID 90635
4-(4-Methylphenyl)-2-phenyl-1,3-thiazole
CID 715103
US9969726, Example 15
CID 130289102
4-Phenyl-2-(p-tolyl)thiazole
CID 12411172
2-{[4-(2-Naphthyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-ol
CID 1482061
4-(Benzhydrylsulfinylmethyl)-2-thiophen-2-yl-1,3-thiazole
CID 155550602
4-[4-[4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl]thiadiazole
CID 2742422

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The IUPAC name of 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol (CID 1473456) is 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol.
What is the SMILES notation for 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The canonical SMILES for 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is Oc1csc(Cc2nc(-c3ccc(-c4ccccc4)cc3)cs2)n1.
What is the InChIKey of 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
The InChIKey is QOOSZVJRQSFDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS2/c22-17-12-24-19(21-17)10-18-20-16(11-23-18)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h1-9,11-12,22H,10H2.
What are the key properties of 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol?
2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol has a molecular weight of 350.47 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol is sourced from PubChem (CID 1473456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).