4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol

C9H13NOS — CID 67596526

IUPAC4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
SMILESCC(C)=CC(O)Cc1ccsn1
InChIInChI=1S/C9H13NOS/c1-7(2)5-9(11)6-8-3-4-12-10-8/h3-5,9,11H,6H2,1-2H3
InChIKeyFRZPHVHWSUOBIY-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.01
Rot. Bonds3

About 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol

4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol (PubChem CID 67596526) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
PubChem CID67596526
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
SMILESCC(C)=CC(O)Cc1ccsn1
InChIInChI=1S/C9H13NOS/c1-7(2)5-9(11)6-8-3-4-12-10-8/h3-5,9,11H,6H2,1-2H3
InChIKeyFRZPHVHWSUOBIY-UHFFFAOYSA-N
XLogP2.01
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.01
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 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol?
The IUPAC name of 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol (CID 67596526) is 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol.
What is the SMILES notation for 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol?
The canonical SMILES for 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol is CC(C)=CC(O)Cc1ccsn1.
What is the InChIKey of 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol?
The InChIKey is FRZPHVHWSUOBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7(2)5-9(11)6-8-3-4-12-10-8/h3-5,9,11H,6H2,1-2H3.
What are the key properties of 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol?
4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol has a molecular weight of 183.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol is sourced from PubChem (CID 67596526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).