1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione

C14H19N3S — CID 23335401

IUPAC1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione
SMILESCc1cc(C)c2ccc(=S)n(CCN(C)C)c2n1
InChIInChI=1S/C14H19N3S/c1-10-9-11(2)15-14-12(10)5-6-13(18)17(14)8-7-16(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyUNJHMGABGRYFFE-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.94
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione

1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione (PubChem CID 23335401) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione
PubChem CID23335401
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione
SMILESCc1cc(C)c2ccc(=S)n(CCN(C)C)c2n1
InChIInChI=1S/C14H19N3S/c1-10-9-11(2)15-14-12(10)5-6-13(18)17(14)8-7-16(3)4/h5-6,9H,7-8H2,1-4H3
InChIKeyUNJHMGABGRYFFE-UHFFFAOYSA-N
XLogP2.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione (CID 23335401) is 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione is Cc1cc(C)c2ccc(=S)n(CCN(C)C)c2n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione?
The InChIKey is UNJHMGABGRYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-9-11(2)15-14-12(10)5-6-13(18)17(14)8-7-16(3)4/h5-6,9H,7-8H2,1-4H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione?
1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione has a molecular weight of 261.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5,7-dimethyl-1,8-naphthyridine-2-thione is sourced from PubChem (CID 23335401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).