2-(1,3-thiazol-2-yl)hex-5-en-2-ol

C9H13NOS — CID 164670295

IUPAC2-(1,3-thiazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1nccs1
InChIInChI=1S/C9H13NOS/c1-3-4-5-9(2,11)8-10-6-7-12-8/h3,6-7,11H,1,4-5H2,2H3
InChIKeyDUVYZXBWRJMFKE-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.32
Rot. Bonds4

About 2-(1,3-thiazol-2-yl)hex-5-en-2-ol

2-(1,3-thiazol-2-yl)hex-5-en-2-ol (PubChem CID 164670295) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)hex-5-en-2-ol
PubChem CID164670295
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-(1,3-thiazol-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1nccs1
InChIInChI=1S/C9H13NOS/c1-3-4-5-9(2,11)8-10-6-7-12-8/h3,6-7,11H,1,4-5H2,2H3
InChIKeyDUVYZXBWRJMFKE-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.32
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 2-(1,3-thiazol-2-yl)hex-5-en-2-ol?
The IUPAC name of 2-(1,3-thiazol-2-yl)hex-5-en-2-ol (CID 164670295) is 2-(1,3-thiazol-2-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)hex-5-en-2-ol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)hex-5-en-2-ol is C=CCCC(C)(O)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)hex-5-en-2-ol?
The InChIKey is DUVYZXBWRJMFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-3-4-5-9(2,11)8-10-6-7-12-8/h3,6-7,11H,1,4-5H2,2H3.
What are the key properties of 2-(1,3-thiazol-2-yl)hex-5-en-2-ol?
2-(1,3-thiazol-2-yl)hex-5-en-2-ol has a molecular weight of 183.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)hex-5-en-2-ol is sourced from PubChem (CID 164670295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).