4-methylsulfanyl-1,5-naphthyridine

C9H8N2S — CID 12705267

IUPAC4-methylsulfanyl-1,5-naphthyridine
SMILESCSc1ccnc2cccnc12
InChIInChI=1S/C9H8N2S/c1-12-8-4-6-10-7-3-2-5-11-9(7)8/h2-6H,1H3
InChIKeyPKAJRBLPNRIYCP-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.35
Rot. Bonds1

About 4-methylsulfanyl-1,5-naphthyridine

4-methylsulfanyl-1,5-naphthyridine (PubChem CID 12705267) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-methylsulfanyl-1,5-naphthyridine.

Molecular Properties

Compound Name4-methylsulfanyl-1,5-naphthyridine
PubChem CID12705267
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name4-methylsulfanyl-1,5-naphthyridine
SMILESCSc1ccnc2cccnc12
InChIInChI=1S/C9H8N2S/c1-12-8-4-6-10-7-3-2-5-11-9(7)8/h2-6H,1H3
InChIKeyPKAJRBLPNRIYCP-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-8-methylsulfanylquinoline
CID 170900378
iridium(3+);1,5-naphthyridine
CID 175728214
3-methylsulfanyl-2-propan-2-ylpyridine
CID 18741288
8-methylsulfanyl-4-propan-2-ylquinoline
CID 58755572
pyrido[2,3-c][1,5]naphthyridine
CID 44631737
ethane;3-methylsulfanylpyridin-2-amine
CID 142810881
4-(4-tert-butylphenyl)-1,5-naphthyridine
CID 138968340
tris(pyrazino[2,3-f]quinoxaline);ruthenium
CID 57355129
4-isothiocyanato-8-methylsulfanylquinoline
CID 135004494
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
ethane;1,5-naphthyridine;propane
CID 142434189
2-methyl-3-methylsulfanylpyridine;propane
CID 142465096

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1,5-naphthyridine?
The IUPAC name of 4-methylsulfanyl-1,5-naphthyridine (CID 12705267) is 4-methylsulfanyl-1,5-naphthyridine.
What is the SMILES notation for 4-methylsulfanyl-1,5-naphthyridine?
The canonical SMILES for 4-methylsulfanyl-1,5-naphthyridine is CSc1ccnc2cccnc12.
What is the InChIKey of 4-methylsulfanyl-1,5-naphthyridine?
The InChIKey is PKAJRBLPNRIYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-12-8-4-6-10-7-3-2-5-11-9(7)8/h2-6H,1H3.
What are the key properties of 4-methylsulfanyl-1,5-naphthyridine?
4-methylsulfanyl-1,5-naphthyridine has a molecular weight of 176.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1,5-naphthyridine is sourced from PubChem (CID 12705267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).