7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione

C15H12N2S — CID 10562783

IUPAC7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione
SMILESCc1ccc2c(=S)cc(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C15H12N2S/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)
InChIKeyVXQCNUDURSVDNV-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.27
Rot. Bonds1

About 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione

7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione (PubChem CID 10562783) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione.

Molecular Properties

Compound Name7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione
PubChem CID10562783
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione
SMILESCc1ccc2c(=S)cc(-c3ccccc3)[nH]c2n1
InChIInChI=1S/C15H12N2S/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18)
InChIKeyVXQCNUDURSVDNV-UHFFFAOYSA-N
XLogP4.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dimethylpyridine
CID 21507
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
ST001233
CID 610514
4-Amino-2,6-diphenylpyrimidine
CID 619020
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
5,6,7,8-Tetrahydroquinolin-2-amine
CID 10034772
4-Methyl-6-propylpyridin-2-amine
CID 9855524
(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine
CID 42625452
4-Methyl-6-(2-methylprop-1-enyl)pyridin-2-amine
CID 42625621
2-(Piperazin-1-yl)-5,6,7,8-tetrahydroquinoline
CID 46228433
N-(4,6-dimethyl-2-pyridinyl)-N'-(3-fluorophenyl)thiourea
CID 2731490
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione?
The IUPAC name of 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione (CID 10562783) is 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione.
What is the SMILES notation for 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione?
The canonical SMILES for 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione is Cc1ccc2c(=S)cc(-c3ccccc3)[nH]c2n1.
What is the InChIKey of 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione?
The InChIKey is VXQCNUDURSVDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-10-7-8-12-14(18)9-13(17-15(12)16-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17,18).
What are the key properties of 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione?
7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione has a molecular weight of 252.34 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-phenyl-1H-1,8-naphthyridine-4-thione is sourced from PubChem (CID 10562783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).