(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol

C12H10FNO2S — CID 104948033

IUPAC(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cncs2)Oc2ccc(F)cc21
InChIInChI=1S/C12H10FNO2S/c13-7-1-2-10-8(3-7)9(15)4-11(16-10)12-5-14-6-17-12/h1-3,5-6,9,11,15H,4H2/t9-,11?/m0/s1
InChIKeyJSRZCFPQOAAGEY-FTNKSUMCSA-N
MW251.28 g/mol
LogP2.84
Rot. Bonds1

About (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol

(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104948033) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID104948033
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cncs2)Oc2ccc(F)cc21
InChIInChI=1S/C12H10FNO2S/c13-7-1-2-10-8(3-7)9(15)4-11(16-10)12-5-14-6-17-12/h1-3,5-6,9,11,15H,4H2/t9-,11?/m0/s1
InChIKeyJSRZCFPQOAAGEY-FTNKSUMCSA-N
XLogP2.84
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol (CID 104948033) is (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2cncs2)Oc2ccc(F)cc21.
What is the InChIKey of (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is JSRZCFPQOAAGEY-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H10FNO2S/c13-7-1-2-10-8(3-7)9(15)4-11(16-10)12-5-14-6-17-12/h1-3,5-6,9,11,15H,4H2/t9-,11?/m0/s1.
What are the key properties of (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 251.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104948033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).