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

C16H23ClN4O2S — CID 120507114

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

N-[(2S)-1-aminopropan-2-yl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride (PubChem CID 120507114) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-methyl-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: N-[(2S)-1-aminopropan-2-yl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride
• PubChem CID: 120507114
• Molecular Formula: C16H23ClN4O2S
• Molecular Weight: 370.91 g/mol
• Exact Mass: 370.12
• IUPAC Name: N-[(2S)-1-aminopropan-2-yl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride
• SMILES: Cc1c(C(=O)N[C@@H](C)CN)sc2nc3n(c(=O)c12)CCCCC3.Cl
• InChI: InChI=1S/C16H22N4O2S.ClH/c1-9(8-17)18-14(21)13-10(2)12-15(23-13)19-11-6-4-3-5-7-20(11)16(12)22;/h9H,3-8,17H2,1-2H3,(H,18,21);1H/t9-;/m0./s1
• InChIKey: UANWJAFUOLBPTP-FVGYRXGTSA-N
• XLogP: 1.99
• TPSA: 90.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.91
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-methyl-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 N-[(2S)-1-aminopropan-2-yl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride (CID 120507114) is N-[(2S)-1-aminopropan-2-yl]-4-methyl-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 N-[(2S)-1-aminopropan-2-yl]-4-methyl-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 N-[(2S)-1-aminopropan-2-yl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide;hydrochloride is Cc1c(C(=O)N[C@@H](C)CN)sc2nc3n(c(=O)c12)CCCCC3.Cl.

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

The InChIKey is UANWJAFUOLBPTP-FVGYRXGTSA-N. The full InChI is InChI=1S/C16H22N4O2S.ClH/c1-9(8-17)18-14(21)13-10(2)12-15(23-13)19-11-6-4-3-5-7-20(11)16(12)22;/h9H,3-8,17H2,1-2H3,(H,18,21);1H/t9-;/m0./s1.

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

N-[(2S)-1-aminopropan-2-yl]-4-methyl-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 370.91 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-aminopropan-2-yl]-4-methyl-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 120507114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).