2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol

C8H13NO2S — CID 130748193

IUPAC2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol
SMILESCCC(C)(O)c1cc(OC)ns1
InChIInChI=1S/C8H13NO2S/c1-4-8(2,10)6-5-7(11-3)9-12-6/h5,10H,4H2,1-3H3
InChIKeyGHXGDTPEUUYJFP-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.77
Rot. Bonds3

About 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol

2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol (PubChem CID 130748193) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol
PubChem CID130748193
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol
SMILESCCC(C)(O)c1cc(OC)ns1
InChIInChI=1S/C8H13NO2S/c1-4-8(2,10)6-5-7(11-3)9-12-6/h5,10H,4H2,1-3H3
InChIKeyGHXGDTPEUUYJFP-UHFFFAOYSA-N
XLogP1.77
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Difluoro-1-(3-methoxy-1,2-thiazol-5-yl)propan-1-ol
CID 130698711
(1S)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 130704978
(1R)-2,2,2-trifluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 130729854
2,2-Difluoro-1-(3-methoxy-1,2-thiazol-5-yl)ethanol
CID 131093371
3-Methoxy-5-propan-2-yl-1,2-thiazole
CID 58942655
5-Tert-butyl-3-methoxy-1,2-thiazole
CID 146376930
Ethane;3-methoxy-5-propan-2-yl-1,2-thiazole
CID 168201242
1-(3-Methoxy-1,2-thiazol-5-yl)-3,3-dimethylcyclobutan-1-ol
CID 126999939
3-(3-Methoxy-1,2-thiazol-5-yl)butan-2-ol
CID 126999941
1-(3-Methoxy-1,2-thiazol-5-yl)ethanol
CID 126999944
3-(3-Methoxy-1,2-thiazol-5-yl)cyclopentan-1-ol
CID 126999946
2-Hydroxy-2-(3-methoxy-1,2-thiazol-5-yl)propanal
CID 126999949

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol (CID 130748193) is 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol is CCC(C)(O)c1cc(OC)ns1.
What is the InChIKey of 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is GHXGDTPEUUYJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-4-8(2,10)6-5-7(11-3)9-12-6/h5,10H,4H2,1-3H3.
What are the key properties of 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol?
2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 187.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 130748193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).