2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol

C7H10FNOS — CID 58297587

IUPAC2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol
SMILESCCC(F)C(O)c1nccs1
InChIInChI=1S/C7H10FNOS/c1-2-5(8)6(10)7-9-3-4-11-7/h3-6,10H,2H2,1H3
InChIKeyJSEFTMGWFBSXSU-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.92
Rot. Bonds3

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

2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol (PubChem CID 58297587) has the molecular formula C7H10FNOS and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol
PubChem CID58297587
Molecular FormulaC7H10FNOS
Molecular Weight175.23 g/mol
Exact Mass175.05
IUPAC Name2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol
SMILESCCC(F)C(O)c1nccs1
InChIInChI=1S/C7H10FNOS/c1-2-5(8)6(10)7-9-3-4-11-7/h3-6,10H,2H2,1H3
InChIKeyJSEFTMGWFBSXSU-UHFFFAOYSA-N
XLogP1.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-Thiazol-2-yl)ethan-1-ol
CID 9989295
(1S)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 10796762
(1R)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 11423603
2-Thiazol-2-yl-propan-2-ol
CID 12992807
1-(1,3-Thiazol-2-yl)cyclobutan-1-ol
CID 12992810
Cyclopropyl(1,3-thiazol-2-yl)methanol
CID 22406973
2,2,2-Trifluoro-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 50990575
4-(1,3-Thiazol-2-yl)butan-1-ol
CID 57033000
2-Methoxy-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 46785207
(1R)-1-(1,3-thiazol-2-yl)propan-1-ol;hydrochloride
CID 170913972
2-Methyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 13032476
2-Thiazolemethanol, alpha-methyl-alpha-(trifluoromethyl)-
CID 12992809

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol (CID 58297587) is 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol is CCC(F)C(O)c1nccs1.
What is the InChIKey of 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is JSEFTMGWFBSXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FNOS/c1-2-5(8)6(10)7-9-3-4-11-7/h3-6,10H,2H2,1H3.
What are the key properties of 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol?
2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 175.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 58297587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).