2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol

C14H15NO2S — CID 165177484

IUPAC2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol
SMILESCC(C)c1c(O)cc(/C=C/c2cscn2)cc1O
InChIInChI=1S/C14H15NO2S/c1-9(2)14-12(16)5-10(6-13(14)17)3-4-11-7-18-8-15-11/h3-9,16-17H,1-2H3/b4-3+
InChIKeyIKZFIVPKUSFFGC-ONEGZZNKSA-N
MW261.35 g/mol
LogP3.85
Rot. Bonds3

About 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol

2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol (PubChem CID 165177484) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol
PubChem CID165177484
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol
SMILESCC(C)c1c(O)cc(/C=C/c2cscn2)cc1O
InChIInChI=1S/C14H15NO2S/c1-9(2)14-12(16)5-10(6-13(14)17)3-4-11-7-18-8-15-11/h3-9,16-17H,1-2H3/b4-3+
InChIKeyIKZFIVPKUSFFGC-ONEGZZNKSA-N
XLogP3.85
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol?
The IUPAC name of 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol (CID 165177484) is 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol?
The canonical SMILES for 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol is CC(C)c1c(O)cc(/C=C/c2cscn2)cc1O.
What is the InChIKey of 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol?
The InChIKey is IKZFIVPKUSFFGC-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9(2)14-12(16)5-10(6-13(14)17)3-4-11-7-18-8-15-11/h3-9,16-17H,1-2H3/b4-3+.
What are the key properties of 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol?
2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol has a molecular weight of 261.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[(E)-2-(1,3-thiazol-4-yl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 165177484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).