dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium

C23H24N3OS+ — CID 7507839

About dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium

dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium (PubChem CID 7507839) has the molecular formula C23H24N3OS+ and a molecular weight of 390.53 g/mol. Its IUPAC name is dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium.

Molecular Properties

• Compound Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium
• PubChem CID: 7507839
• Molecular Formula: C23H24N3OS+
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.16
• IUPAC Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium
• SMILES: Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)nc12
• InChI: InChI=1S/C23H23N3OS/c1-16-7-6-10-20-21(16)24-23(28-20)26(14-13-25(2)3)22(27)19-12-11-17-8-4-5-9-18(17)15-19/h4-12,15H,13-14H2,1-3H3/p+1
• InChIKey: FIBWPSKPUDECSN-UHFFFAOYSA-O
• XLogP: 3.55
• TPSA: 37.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium?

The IUPAC name of dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium (CID 7507839) is dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium.

What is the SMILES notation for dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium?

The canonical SMILES for dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium is Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc4ccccc4c3)nc12.

What is the InChIKey of dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium?

The InChIKey is FIBWPSKPUDECSN-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H23N3OS/c1-16-7-6-10-20-21(16)24-23(28-20)26(14-13-25(2)3)22(27)19-12-11-17-8-4-5-9-18(17)15-19/h4-12,15H,13-14H2,1-3H3/p+1.

What are the key properties of dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium?

dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium has a molecular weight of 390.53 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(naphthalene-2-carbonyl)amino]ethyl]azanium is sourced from PubChem (CID 7507839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).