4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride

About 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride

4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride (PubChem CID 119429679) has the molecular formula C17H25ClN4O2S and a molecular weight of 384.93 g/mol. Its IUPAC name is 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name	4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride
PubChem CID	119429679
Molecular Formula	C17H25ClN4O2S
Molecular Weight	384.93 g/mol
Exact Mass	384.14
IUPAC Name	4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride
SMILES	CNCCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3.Cl
InChI	InChI=1S/C17H24N4O2S.ClH/c1-11-13-16(24-14(11)15(22)19-9-6-8-18-2)20-12-7-4-3-5-10-21(12)17(13)23;/h18H,3-10H2,1-2H3,(H,19,22);1H
InChIKey	KWGOIWBNEBAESF-UHFFFAOYSA-N
XLogP	2.25
TPSA	76.02 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.93
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride?

The IUPAC name of 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride (CID 119429679) is 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride.

What is the SMILES notation for 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride?

The canonical SMILES for 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride is CNCCCNC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3.Cl.

What is the InChIKey of 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride?

The InChIKey is KWGOIWBNEBAESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.ClH/c1-11-13-16(24-14(11)15(22)19-9-6-8-18-2)20-12-7-4-3-5-10-21(12)17(13)23;/h18H,3-10H2,1-2H3,(H,19,22);1H.

What are the key properties of 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride?

4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[3-(methylamino)propyl]-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride is sourced from PubChem (CID 119429679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).