9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C21H28ClN3O2S — CID 120984295

About 9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120984295) has the molecular formula C21H28ClN3O2S and a molecular weight of 421.99 g/mol. Its IUPAC name is 9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• PubChem CID: 120984295
• Molecular Formula: C21H28ClN3O2S
• Molecular Weight: 421.99 g/mol
• Exact Mass: 421.16
• IUPAC Name: 9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
• SMILES: COc1ccc(C)cc1-c1csc(NC(=O)C2CC3CCCC(C2)C3N)n1.Cl
• InChI: InChI=1S/C21H27N3O2S.ClH/c1-12-6-7-18(26-2)16(8-12)17-11-27-21(23-17)24-20(25)15-9-13-4-3-5-14(10-15)19(13)22;/h6-8,11,13-15,19H,3-5,9-10,22H2,1-2H3,(H,23,24,25);1H
• InChIKey: QKSJCDYKYJWDCF-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 77.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.99
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120984295) is 9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

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

The canonical SMILES for 9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is COc1ccc(C)cc1-c1csc(NC(=O)C2CC3CCCC(C2)C3N)n1.Cl.

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

The InChIKey is QKSJCDYKYJWDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S.ClH/c1-12-6-7-18(26-2)16(8-12)17-11-27-21(23-17)24-20(25)15-9-13-4-3-5-14(10-15)19(13)22;/h6-8,11,13-15,19H,3-5,9-10,22H2,1-2H3,(H,23,24,25);1H.

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

9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 421.99 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-amino-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120984295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).