1-(1,2-thiazol-3-yl)but-3-en-1-ol

C7H9NOS — CID 131160225

IUPAC1-(1,2-thiazol-3-yl)but-3-en-1-ol
SMILESC=CCC(O)c1ccsn1
InChIInChI=1S/C7H9NOS/c1-2-3-7(9)6-4-5-10-8-6/h2,4-5,7,9H,1,3H2
InChIKeySENIZGDHVHWKFQ-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.75
Rot. Bonds3

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

1-(1,2-thiazol-3-yl)but-3-en-1-ol (PubChem CID 131160225) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(1,2-thiazol-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(1,2-thiazol-3-yl)but-3-en-1-ol
PubChem CID131160225
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-(1,2-thiazol-3-yl)but-3-en-1-ol
SMILESC=CCC(O)c1ccsn1
InChIInChI=1S/C7H9NOS/c1-2-3-7(9)6-4-5-10-8-6/h2,4-5,7,9H,1,3H2
InChIKeySENIZGDHVHWKFQ-UHFFFAOYSA-N
XLogP1.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2-Thiazol-3-yl)ethan-1-ol
CID 20550112
1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
(1S)-2,2,2-trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131067597
2,2-Difluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131096578
2,2,2-Trifluoro-1-(1,2-thiazol-3-yl)ethanol
CID 131163031
Isothiazol-3-ylmethanol
CID 18361854
1-(Isothiazol-3-yl)ethanol
CID 19017861
2-Hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde
CID 23459397
4-Methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
CID 67596526
4-Methyl-5-(1,2-thiazol-3-yl)pent-3-en-2-ol
CID 67596527
3-Chloro-1-(1,2-thiazol-3-yl)propan-1-ol
CID 69648256
3-Azido-1-(1,2-thiazol-3-yl)propan-1-ol
CID 91451221

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-thiazol-3-yl)but-3-en-1-ol?
The IUPAC name of 1-(1,2-thiazol-3-yl)but-3-en-1-ol (CID 131160225) is 1-(1,2-thiazol-3-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(1,2-thiazol-3-yl)but-3-en-1-ol?
The canonical SMILES for 1-(1,2-thiazol-3-yl)but-3-en-1-ol is C=CCC(O)c1ccsn1.
What is the InChIKey of 1-(1,2-thiazol-3-yl)but-3-en-1-ol?
The InChIKey is SENIZGDHVHWKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c1-2-3-7(9)6-4-5-10-8-6/h2,4-5,7,9H,1,3H2.
What are the key properties of 1-(1,2-thiazol-3-yl)but-3-en-1-ol?
1-(1,2-thiazol-3-yl)but-3-en-1-ol has a molecular weight of 155.22 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-thiazol-3-yl)but-3-en-1-ol is sourced from PubChem (CID 131160225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).