phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol

C18H15NOS — CID 46942968

IUPACphenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
SMILESOC(c1ccccc1)c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C18H15NOS/c20-17(15-9-5-2-6-10-15)18-19-16(13-21-18)12-11-14-7-3-1-4-8-14/h1-13,17,20H/b12-11+
InChIKeyFAKLITPSXXBPDC-VAWYXSNFSA-N
MW293.39 g/mol
LogP4.40
Rot. Bonds4

About phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol

phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol (PubChem CID 46942968) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Namephenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
PubChem CID46942968
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC Namephenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol
SMILESOC(c1ccccc1)c1nc(/C=C/c2ccccc2)cs1
InChIInChI=1S/C18H15NOS/c20-17(15-9-5-2-6-10-15)18-19-16(13-21-18)12-11-14-7-3-1-4-8-14/h1-13,17,20H/b12-11+
InChIKeyFAKLITPSXXBPDC-VAWYXSNFSA-N
XLogP4.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol?
The IUPAC name of phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol (CID 46942968) is phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol?
The canonical SMILES for phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol is OC(c1ccccc1)c1nc(/C=C/c2ccccc2)cs1.
What is the InChIKey of phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol?
The InChIKey is FAKLITPSXXBPDC-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H15NOS/c20-17(15-9-5-2-6-10-15)18-19-16(13-21-18)12-11-14-7-3-1-4-8-14/h1-13,17,20H/b12-11+.
What are the key properties of phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol?
phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol has a molecular weight of 293.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 46942968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).