9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H25ClN4OS — CID 120992577

About 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120992577) has the molecular formula C19H25ClN4OS and a molecular weight of 392.96 g/mol. Its IUPAC name is 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• PubChem CID: 120992577
• Molecular Formula: C19H25ClN4OS
• Molecular Weight: 392.96 g/mol
• Exact Mass: 392.14
• IUPAC Name: 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• SMILES: Cl.NC1C2CCCC1CC(C(=O)NCc1nnc(-c3ccccc3)s1)C2
• InChI: InChI=1S/C19H24N4OS.ClH/c20-17-13-7-4-8-14(17)10-15(9-13)18(24)21-11-16-22-23-19(25-16)12-5-2-1-3-6-12;/h1-3,5-6,13-15,17H,4,7-11,20H2,(H,21,24);1H
• InChIKey: YLKDBVCJZSTVEY-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.96
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The IUPAC name of 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120992577) is 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

What is the SMILES notation for 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The canonical SMILES for 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NCc1nnc(-c3ccccc3)s1)C2.

What is the InChIKey of 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

The InChIKey is YLKDBVCJZSTVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS.ClH/c20-17-13-7-4-8-14(17)10-15(9-13)18(24)21-11-16-22-23-19(25-16)12-5-2-1-3-6-12;/h1-3,5-6,13-15,17H,4,7-11,20H2,(H,21,24);1H.

What are the key properties of 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?

9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 392.96 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120992577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).