(E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol

C7H8FNOS — CID 22339147

IUPAC(E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
SMILESCc1nc(/C=C(/F)CO)cs1
InChIInChI=1S/C7H8FNOS/c1-5-9-7(4-11-5)2-6(8)3-10/h2,4,10H,3H2,1H3/b6-2+
InChIKeyWKAOPSKQKLNWMU-QHHAFSJGSA-N
MW173.21 g/mol
LogP1.75
Rot. Bonds2

About (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol

(E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol (PubChem CID 22339147) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
PubChem CID22339147
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name(E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
SMILESCc1nc(/C=C(/F)CO)cs1
InChIInChI=1S/C7H8FNOS/c1-5-9-7(4-11-5)2-6(8)3-10/h2,4,10H,3H2,1H3/b6-2+
InChIKeyWKAOPSKQKLNWMU-QHHAFSJGSA-N
XLogP1.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1E,3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)hexa-1,5-dien-3-ol
CID 11769733
(Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
CID 15460610
(Z)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 15460611
(E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 22339183
2-Fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 54124751
2-Fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol
CID 54434885
(1E,3S,5Z)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)octa-1,5,7-trien-3-ol
CID 59732561
(3S)-1-(2-Methylthiazole-4-yl)-2-methyl-6-(trifluoromethyl)-1,5,8-nonatriene-3-ol
CID 60018656
(1E,3S,5E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)octa-1,5,7-trien-3-ol
CID 60018664
(1E,5E)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)nona-1,5,8-trien-3-ol
CID 70332690
(1E,3S,5E)-1-(2-ethyl-1,3-thiazol-4-yl)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol
CID 90309871
(3S)-2-methyl-1-(2-methyl-1,3-thiazol-4-yl)-6-(trifluoromethyl)nona-1,5,8-trien-3-ol
CID 90824217

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol?
The IUPAC name of (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol (CID 22339147) is (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol is Cc1nc(/C=C(/F)CO)cs1.
What is the InChIKey of (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol?
The InChIKey is WKAOPSKQKLNWMU-QHHAFSJGSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-5-9-7(4-11-5)2-6(8)3-10/h2,4,10H,3H2,1H3/b6-2+.
What are the key properties of (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol?
(E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol has a molecular weight of 173.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 22339147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).