N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride

C17H25ClN4O2S2 — CID 119628909

About N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride

N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride (PubChem CID 119628909) has the molecular formula C17H25ClN4O2S2 and a molecular weight of 417.00 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride
• PubChem CID: 119628909
• Molecular Formula: C17H25ClN4O2S2
• Molecular Weight: 417.00 g/mol
• Exact Mass: 416.11
• IUPAC Name: N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride
• SMILES: CC(C)(N)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3.Cl
• InChI: InChI=1S/C17H24N4O2S2.ClH/c1-17(2,18)9-19-13(22)8-24-7-12-20-15(23)14-10-5-3-4-6-11(10)25-16(14)21-12;/h3-9,18H2,1-2H3,(H,19,22)(H,20,21,23);1H
• InChIKey: FOXWXWPVJNUCGA-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 100.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.00
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride?

The IUPAC name of N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride (CID 119628909) is N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride.

What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride?

The canonical SMILES for N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride is CC(C)(N)CNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3.Cl.

What is the InChIKey of N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride?

The InChIKey is FOXWXWPVJNUCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S2.ClH/c1-17(2,18)9-19-13(22)8-24-7-12-20-15(23)14-10-5-3-4-6-11(10)25-16(14)21-12;/h3-9,18H2,1-2H3,(H,19,22)(H,20,21,23);1H.

What are the key properties of N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride?

N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride has a molecular weight of 417.00 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-methylpropyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide;hydrochloride is sourced from PubChem (CID 119628909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).