1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone

C10H11FN2OS — CID 126785148

IUPAC1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCC=C(F)C1
InChIInChI=1S/C10H11FN2OS/c11-8-2-1-3-13(6-8)10(14)4-9-5-12-7-15-9/h2,5,7H,1,3-4,6H2
InChIKeyKFHABMPVNITWSX-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.77
Rot. Bonds2

About 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 126785148) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID126785148
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCC=C(F)C1
InChIInChI=1S/C10H11FN2OS/c11-8-2-1-3-13(6-8)10(14)4-9-5-12-7-15-9/h2,5,7H,1,3-4,6H2
InChIKeyKFHABMPVNITWSX-UHFFFAOYSA-N
XLogP1.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 126785148) is 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)N1CCC=C(F)C1.
What is the InChIKey of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is KFHABMPVNITWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c11-8-2-1-3-13(6-8)10(14)4-9-5-12-7-15-9/h2,5,7H,1,3-4,6H2.
What are the key properties of 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 226.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 126785148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).