(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone

C10H11FN2OS — CID 125137359

IUPAC(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCc1nscc1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H11FN2OS/c1-7-9(6-15-12-7)10(14)13-4-2-3-8(11)5-13/h3,6H,2,4-5H2,1H3
InChIKeyUPFJLDBVUHFLFR-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.15
Rot. Bonds1

About (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone

(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone (PubChem CID 125137359) has the molecular formula C10H11FN2OS and a molecular weight of 226.28 g/mol. Its IUPAC name is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone
PubChem CID125137359
Molecular FormulaC10H11FN2OS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCc1nscc1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C10H11FN2OS/c1-7-9(6-15-12-7)10(14)13-4-2-3-8(11)5-13/h3,6H,2,4-5H2,1H3
InChIKeyUPFJLDBVUHFLFR-UHFFFAOYSA-N
XLogP2.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone?
The IUPAC name of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone (CID 125137359) is (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone.
What is the SMILES notation for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone?
The canonical SMILES for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone is Cc1nscc1C(=O)N1CCC=C(F)C1.
What is the InChIKey of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone?
The InChIKey is UPFJLDBVUHFLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2OS/c1-7-9(6-15-12-7)10(14)13-4-2-3-8(11)5-13/h3,6H,2,4-5H2,1H3.
What are the key properties of (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone?
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(3-methyl-1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 125137359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).