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

C19H17NOS — CID 10425345

IUPAC(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C19H17NOS/c21-18(12-11-15-7-3-1-4-8-15)13-17-14-19(22-20-17)16-9-5-2-6-10-16/h1-12,14,18,21H,13H2/b12-11+
InChIKeyAJEULUPKLJEKLK-VAWYXSNFSA-N
MW307.42 g/mol
LogP4.43
Rot. Bonds5

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

(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol (PubChem CID 10425345) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
PubChem CID10425345
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol
SMILESOC(/C=C/c1ccccc1)Cc1cc(-c2ccccc2)sn1
InChIInChI=1S/C19H17NOS/c21-18(12-11-15-7-3-1-4-8-15)13-17-14-19(22-20-17)16-9-5-2-6-10-16/h1-12,14,18,21H,13H2/b12-11+
InChIKeyAJEULUPKLJEKLK-VAWYXSNFSA-N
XLogP4.43
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
[3-(4-Trifluoromethyl-phenyl)-isothiazol-5-yl]-methanol
CID 59212200
1-[4-[5-(Trifluoromethyl)-1,2-thiazol-3-yl]phenyl]ethanol
CID 152078970
[5-[1-(3-Ethyl-2-fluorophenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
CID 170709310
[5-[1-(2-Fluoro-3-propan-2-ylphenyl)propan-2-yl]-1,2-thiazol-3-yl]methanol
CID 170709322
(3-Methyl-1,2-thiazol-5-yl)-phenylmethanol
CID 91620842
Isothiazolylphenylmethanol
CID 129752610
(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

Frequently Asked Questions

What is the IUPAC name of (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol?
The IUPAC name of (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol (CID 10425345) is (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol?
The canonical SMILES for (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol is OC(/C=C/c1ccccc1)Cc1cc(-c2ccccc2)sn1.
What is the InChIKey of (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol?
The InChIKey is AJEULUPKLJEKLK-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H17NOS/c21-18(12-11-15-7-3-1-4-8-15)13-17-14-19(22-20-17)16-9-5-2-6-10-16/h1-12,14,18,21H,13H2/b12-11+.
What are the key properties of (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol?
(E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol has a molecular weight of 307.42 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-phenyl-1-(5-phenyl-1,2-thiazol-3-yl)but-3-en-2-ol is sourced from PubChem (CID 10425345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).