2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide

C16H19N3S — CID 82450693

IUPAC2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
SMILESCc1ccc2c(C(N)=S)c3c(nc2c1C)CCN(C)C3
InChIInChI=1S/C16H19N3S/c1-9-4-5-11-14(16(17)20)12-8-19(3)7-6-13(12)18-15(11)10(9)2/h4-5H,6-8H2,1-3H3,(H2,17,20)
InChIKeyHFXPPEMUCMABCG-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.47
Rot. Bonds1

About 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide

2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide (PubChem CID 82450693) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide.

Molecular Properties

Compound Name2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
PubChem CID82450693
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
SMILESCc1ccc2c(C(N)=S)c3c(nc2c1C)CCN(C)C3
InChIInChI=1S/C16H19N3S/c1-9-4-5-11-14(16(17)20)12-8-19(3)7-6-13(12)18-15(11)10(9)2/h4-5H,6-8H2,1-3H3,(H2,17,20)
InChIKeyHFXPPEMUCMABCG-UHFFFAOYSA-N
XLogP2.47
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide?
The IUPAC name of 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide (CID 82450693) is 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide.
What is the SMILES notation for 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide?
The canonical SMILES for 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide is Cc1ccc2c(C(N)=S)c3c(nc2c1C)CCN(C)C3.
What is the InChIKey of 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide?
The InChIKey is HFXPPEMUCMABCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-9-4-5-11-14(16(17)20)12-8-19(3)7-6-13(12)18-15(11)10(9)2/h4-5H,6-8H2,1-3H3,(H2,17,20).
What are the key properties of 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide?
2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide has a molecular weight of 285.42 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide is sourced from PubChem (CID 82450693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).