3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C20H21N3O2S — CID 119698056

About 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119698056) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
• PubChem CID: 119698056
• Molecular Formula: C20H21N3O2S
• Molecular Weight: 367.47 g/mol
• Exact Mass: 367.14
• IUPAC Name: 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
• SMILES: NC1C2CCC(C2)C1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1
• InChI: InChI=1S/C20H21N3O2S/c21-18-12-6-5-11(9-12)17(18)19(24)22-10-13-7-8-15(25-13)20-23-14-3-1-2-4-16(14)26-20/h1-4,7-8,11-12,17-18H,5-6,9-10,21H2,(H,22,24)
• InChIKey: RKIYVHQCOJJVMT-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 81.15 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	367.47
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?

The IUPAC name of 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119698056) is 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

What is the SMILES notation for 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?

The canonical SMILES for 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1.

What is the InChIKey of 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?

The InChIKey is RKIYVHQCOJJVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c21-18-12-6-5-11(9-12)17(18)19(24)22-10-13-7-8-15(25-13)20-23-14-3-1-2-4-16(14)26-20/h1-4,7-8,11-12,17-18H,5-6,9-10,21H2,(H,22,24).

What are the key properties of 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?

3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119698056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).