(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol

C29H24N2OS2 — CID 10367896

IUPAC(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)(Cc1cc(-c2ccccc2)sn1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C29H24N2OS2/c32-29(17-16-22-10-4-1-5-11-22,20-25-18-27(33-30-25)23-12-6-2-7-13-23)21-26-19-28(34-31-26)24-14-8-3-9-15-24/h1-19,32H,20-21H2/b17-16+
InChIKeyUZULUDZWKVILGZ-WUKNDPDISA-N
MW480.66 g/mol
LogP7.16
Rot. Bonds8

About (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol

(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol (PubChem CID 10367896) has the molecular formula C29H24N2OS2 and a molecular weight of 480.66 g/mol. Its IUPAC name is (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol
PubChem CID10367896
Molecular FormulaC29H24N2OS2
Molecular Weight480.66 g/mol
Exact Mass480.13
IUPAC Name(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)(Cc1cc(-c2ccccc2)sn1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C29H24N2OS2/c32-29(17-16-22-10-4-1-5-11-22,20-25-18-27(33-30-25)23-12-6-2-7-13-23)21-26-19-28(34-31-26)24-14-8-3-9-15-24/h1-19,32H,20-21H2/b17-16+
InChIKeyUZULUDZWKVILGZ-WUKNDPDISA-N
XLogP7.16
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-Phenyl-1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 10016135
1-(5-Phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]pentan-2-ol
CID 10025156
1-[(5-Phenyl-1,2-thiazol-3-yl)methyl]cyclopentan-1-ol
CID 10400357
2-Methyl-1-(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
CID 10421504
1-Phenyl-2-(5-phenyl-1,2-thiazol-3-yl)ethanol
CID 10446470
2-Methyl-1,3-bis(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
CID 11741257
2-Phenyl-1-(5-phenyl-1,2-thiazol-3-yl)propan-2-ol
CID 9971750
2-Methyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
CID 9992096
1-(5-Phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
CID 10014131
(E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
CID 10018993
1,1-Diphenyl-2-(5-phenyl-1,2-thiazol-3-yl)ethanol
CID 10066921
(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
CID 10425345

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol?
The IUPAC name of (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol (CID 10367896) is (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol.
What is the SMILES notation for (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol?
The canonical SMILES for (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol is OC(/C=C/c1ccccc1)(Cc1cc(-c2ccccc2)sn1)Cc1cc(-c2ccccc2)sn1.
What is the InChIKey of (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol?
The InChIKey is UZULUDZWKVILGZ-WUKNDPDISA-N. The full InChI is InChI=1S/C29H24N2OS2/c32-29(17-16-22-10-4-1-5-11-22,20-25-18-27(33-30-25)23-12-6-2-7-13-23)21-26-19-28(34-31-26)24-14-8-3-9-15-24/h1-19,32H,20-21H2/b17-16+.
What are the key properties of (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol?
(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol has a molecular weight of 480.66 g/mol, XLogP of 7.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)-2-[(5-phenyl-1,2-thiazol-3-yl)methyl]but-3-en-2-ol is sourced from PubChem (CID 10367896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).