4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole

C8H7FN2S — CID 69080706

IUPAC4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole
SMILESFC1=CC=C(c2cscn2)CN1
InChIInChI=1S/C8H7FN2S/c9-8-2-1-6(3-10-8)7-4-12-5-11-7/h1-2,4-5,10H,3H2
InChIKeyTWNQVZLLYZLKQB-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.94
Rot. Bonds1

About 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole

4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole (PubChem CID 69080706) has the molecular formula C8H7FN2S and a molecular weight of 182.22 g/mol. Its IUPAC name is 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole
PubChem CID69080706
Molecular FormulaC8H7FN2S
Molecular Weight182.22 g/mol
Exact Mass182.03
IUPAC Name4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole
SMILESFC1=CC=C(c2cscn2)CN1
InChIInChI=1S/C8H7FN2S/c9-8-2-1-6(3-10-8)7-4-12-5-11-7/h1-2,4-5,10H,3H2
InChIKeyTWNQVZLLYZLKQB-UHFFFAOYSA-N
XLogP1.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole?
The IUPAC name of 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole (CID 69080706) is 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole is FC1=CC=C(c2cscn2)CN1.
What is the InChIKey of 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole?
The InChIKey is TWNQVZLLYZLKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S/c9-8-2-1-6(3-10-8)7-4-12-5-11-7/h1-2,4-5,10H,3H2.
What are the key properties of 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole?
4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole has a molecular weight of 182.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1,2-dihydropyridin-3-yl)-1,3-thiazole is sourced from PubChem (CID 69080706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).