(1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol

C11H15NOS — CID 10954797

IUPAC(1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
SMILESC=CCC(O)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C11H15NOS/c1-4-5-11(13)8(2)6-10-7-14-9(3)12-10/h4,6-7,11,13H,1,5H2,2-3H3/b8-6+
InChIKeySAMXUQPRBXCGFQ-SOFGYWHQSA-N
MW209.31 g/mol
LogP2.79
Rot. Bonds4

About (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol

(1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol (PubChem CID 10954797) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
PubChem CID10954797
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
SMILESC=CCC(O)/C(C)=C/c1csc(C)n1
InChIInChI=1S/C11H15NOS/c1-4-5-11(13)8(2)6-10-7-14-9(3)12-10/h4,6-7,11,13H,1,5H2,2-3H3/b8-6+
InChIKeySAMXUQPRBXCGFQ-SOFGYWHQSA-N
XLogP2.79
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol?
The IUPAC name of (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol (CID 10954797) is (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol.
What is the SMILES notation for (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol?
The canonical SMILES for (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol is C=CCC(O)/C(C)=C/c1csc(C)n1.
What is the InChIKey of (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol?
The InChIKey is SAMXUQPRBXCGFQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H15NOS/c1-4-5-11(13)8(2)6-10-7-14-9(3)12-10/h4,6-7,11,13H,1,5H2,2-3H3/b8-6+.
What are the key properties of (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol?
(1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol has a molecular weight of 209.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol is sourced from PubChem (CID 10954797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).