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

C8H11NOS — CID 131107624

IUPAC1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol
SMILESC=CCC(O)c1cc(C)ns1
InChIInChI=1S/C8H11NOS/c1-3-4-7(10)8-5-6(2)9-11-8/h3,5,7,10H,1,4H2,2H3
InChIKeyCGQKYOJUMSFHLU-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.06
Rot. Bonds3

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

1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol (PubChem CID 131107624) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol.

Molecular Properties

Compound Name1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol
PubChem CID131107624
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol
SMILESC=CCC(O)c1cc(C)ns1
InChIInChI=1S/C8H11NOS/c1-3-4-7(10)8-5-6(2)9-11-8/h3,5,7,10H,1,4H2,2H3
InChIKeyCGQKYOJUMSFHLU-UHFFFAOYSA-N
XLogP2.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.06
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

(3-Methyl-1,2-thiazol-5-yl)methanol
CID 14343601
(5-Methyl-1,2-thiazol-3-yl)methanol
CID 86767403
1-(5-Methyl-1,2-thiazol-3-yl)ethanol
CID 45085688
2-Chloro-2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130632621
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
4,4-Difluoro-1-(3-methyl-1,2-thiazol-5-yl)cyclohex-2-en-1-ol
CID 165492038
(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003
(3-t-Butyl-isothiazol-5-yl)methanol
CID 57736297
4-Methyl-1-(1,2-thiazol-3-yl)pent-3-en-2-ol
CID 67596526
(5-Isopropyl-isothiazol-3-yl)-methanol
CID 68731053
3-Ethyl-5-isothiazolemethanol
CID 89816508
1-(1,2-Thiazol-3-yl)butan-1-ol
CID 130642506

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol?
The IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol (CID 131107624) is 1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol.
What is the SMILES notation for 1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol?
The canonical SMILES for 1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol is C=CCC(O)c1cc(C)ns1.
What is the InChIKey of 1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol?
The InChIKey is CGQKYOJUMSFHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-3-4-7(10)8-5-6(2)9-11-8/h3,5,7,10H,1,4H2,2H3.
What are the key properties of 1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol?
1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol has a molecular weight of 169.25 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-thiazol-5-yl)but-3-en-1-ol is sourced from PubChem (CID 131107624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).