4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole

C9H9FN2S — CID 129289732

IUPAC4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole
SMILESCC1=C(c2cscn2)C=NC(F)C1
InChIInChI=1S/C9H9FN2S/c1-6-2-9(10)11-3-7(6)8-4-13-5-12-8/h3-5,9H,2H2,1H3
InChIKeyJFMDIWOQJLSQJU-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.69
Rot. Bonds1

About 4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole

4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole (PubChem CID 129289732) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole
PubChem CID129289732
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC Name4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole
SMILESCC1=C(c2cscn2)C=NC(F)C1
InChIInChI=1S/C9H9FN2S/c1-6-2-9(10)11-3-7(6)8-4-13-5-12-8/h3-5,9H,2H2,1H3
InChIKeyJFMDIWOQJLSQJU-UHFFFAOYSA-N
XLogP2.69
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
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-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole?
The IUPAC name of 4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole (CID 129289732) is 4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole is CC1=C(c2cscn2)C=NC(F)C1.
What is the InChIKey of 4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole?
The InChIKey is JFMDIWOQJLSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c1-6-2-9(10)11-3-7(6)8-4-13-5-12-8/h3-5,9H,2H2,1H3.
What are the key properties of 4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole?
4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole has a molecular weight of 196.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methyl-2,3-dihydropyridin-5-yl)-1,3-thiazole is sourced from PubChem (CID 129289732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).