6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione

C13H12F4N2S — CID 122543709

IUPAC6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
SMILESCc1c(F)c(C(F)(F)F)nc2[nH]c(=S)c(C(C)C)cc12
InChIInChI=1S/C13H12F4N2S/c1-5(2)7-4-8-6(3)9(14)10(13(15,16)17)18-11(8)19-12(7)20/h4-5H,1-3H3,(H,18,19,20)
InChIKeyJUDVCJQANNQHBD-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.88
Rot. Bonds1

About 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione

6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione (PubChem CID 122543709) has the molecular formula C13H12F4N2S and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
PubChem CID122543709
Molecular FormulaC13H12F4N2S
Molecular Weight304.31 g/mol
Exact Mass304.07
IUPAC Name6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
SMILESCc1c(F)c(C(F)(F)F)nc2[nH]c(=S)c(C(C)C)cc12
InChIInChI=1S/C13H12F4N2S/c1-5(2)7-4-8-6(3)9(14)10(13(15,16)17)18-11(8)19-12(7)20/h4-5H,1-3H3,(H,18,19,20)
InChIKeyJUDVCJQANNQHBD-UHFFFAOYSA-N
XLogP4.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione
CID 122543701
2-fluoro-3-methyl-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
CID 122543734
5,6-difluoro-3-methyl-7-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
CID 118004970
2-fluoro-7-propan-2-yl-5H-pyrido[2,3-b]pyrazine-6-thione
CID 122543726
2,7-dimethyl-3-(trifluoromethyl)-5H-pyrido[2,3-b]pyrazine-6-thione
CID 118004983
5,6,7-trimethyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543656
3,6-difluoro-2-methyl-4-propan-2-ylpyridine
CID 159755748
2,3,6-trifluoro-4-propan-2-ylpyridine
CID 155383026
4-fluoro-2-methyl-5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 130179083
5-fluoro-6-methyl-3-propan-2-yl-1H-1,8-naphthyridin-2-one
CID 122543639
3-methyl-8-propan-2-yl-2-(trifluoromethyl)quinolin-4-amine
CID 55231081
ethane;1-methyl-4-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 156863648

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione?
The IUPAC name of 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione (CID 122543709) is 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione.
What is the SMILES notation for 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione?
The canonical SMILES for 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione is Cc1c(F)c(C(F)(F)F)nc2[nH]c(=S)c(C(C)C)cc12.
What is the InChIKey of 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione?
The InChIKey is JUDVCJQANNQHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F4N2S/c1-5(2)7-4-8-6(3)9(14)10(13(15,16)17)18-11(8)19-12(7)20/h4-5H,1-3H3,(H,18,19,20).
What are the key properties of 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione?
6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione has a molecular weight of 304.31 g/mol, XLogP of 4.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methyl-3-propan-2-yl-7-(trifluoromethyl)-1H-1,8-naphthyridine-2-thione is sourced from PubChem (CID 122543709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).