N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide

C26H32N4OS — CID 74390463

About N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide

N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide (PubChem CID 74390463) has the molecular formula C26H32N4OS and a molecular weight of 448.64 g/mol. Its IUPAC name is N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide
• PubChem CID: 74390463
• Molecular Formula: C26H32N4OS
• Molecular Weight: 448.64 g/mol
• Exact Mass: 448.23
• IUPAC Name: N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide
• SMILES: Nc1nc2c(s1)CC(NCCC1CCC(NC(=O)c3ccc4ccccc4c3)CC1)CC2
• InChI: InChI=1S/C26H32N4OS/c27-26-30-23-12-11-22(16-24(23)32-26)28-14-13-17-5-9-21(10-6-17)29-25(31)20-8-7-18-3-1-2-4-19(18)15-20/h1-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,(H2,27,30)(H,29,31)
• InChIKey: NAJAFAGBGXSZLZ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 80.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.64
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide?

The IUPAC name of N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide (CID 74390463) is N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide?

The canonical SMILES for N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide is Nc1nc2c(s1)CC(NCCC1CCC(NC(=O)c3ccc4ccccc4c3)CC1)CC2.

What is the InChIKey of N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide?

The InChIKey is NAJAFAGBGXSZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4OS/c27-26-30-23-12-11-22(16-24(23)32-26)28-14-13-17-5-9-21(10-6-17)29-25(31)20-8-7-18-3-1-2-4-19(18)15-20/h1-4,7-8,15,17,21-22,28H,5-6,9-14,16H2,(H2,27,30)(H,29,31).

What are the key properties of N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide?

N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide has a molecular weight of 448.64 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide is sourced from PubChem (CID 74390463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).