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

C20H19NOS — CID 10018993

IUPAC(E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
SMILESCC(O)(/C=C/c1ccccc1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C20H19NOS/c1-20(22,13-12-16-8-4-2-5-9-16)15-18-14-19(23-21-18)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3/b13-12+
InChIKeyGJHNSYSDCJBSJF-OUKQBFOZSA-N
MW321.45 g/mol
LogP4.82
Rot. Bonds5

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

(E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol (PubChem CID 10018993) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is (E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
PubChem CID10018993
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name(E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
SMILESCC(O)(/C=C/c1ccccc1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C20H19NOS/c1-20(22,13-12-16-8-4-2-5-9-16)15-18-14-19(23-21-18)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3/b13-12+
InChIKeyGJHNSYSDCJBSJF-OUKQBFOZSA-N
XLogP4.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanol
CID 44457758
(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
2-(3-(4-Fluorophenyl)isothiazol-5-yl)propan-2-ol
CID 68328241
(3-Methyl-1,2-thiazol-5-yl)-phenylmethanol
CID 91620842
(2-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094109
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)butan-2-ol
CID 10353949
(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
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

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol?
The IUPAC name of (E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol (CID 10018993) is (E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol is CC(O)(/C=C/c1ccccc1)Cc1cc(-c2ccccc2)sn1.
What is the InChIKey of (E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol?
The InChIKey is GJHNSYSDCJBSJF-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H19NOS/c1-20(22,13-12-16-8-4-2-5-9-16)15-18-14-19(23-21-18)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3/b13-12+.
What are the key properties of (E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol?
(E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol has a molecular weight of 321.45 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol is sourced from PubChem (CID 10018993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).