N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

C25H27N3OS — CID 43964268

About N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide

N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (PubChem CID 43964268) has the molecular formula C25H27N3OS and a molecular weight of 417.58 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
• PubChem CID: 43964268
• Molecular Formula: C25H27N3OS
• Molecular Weight: 417.58 g/mol
• Exact Mass: 417.19
• IUPAC Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
• SMILES: Cc1cc(C)c2sc(N(CCCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c1
• InChI: InChI=1S/C25H27N3OS/c1-17-14-18(2)23-22(15-17)26-25(30-23)28(13-7-12-27(3)4)24(29)21-11-10-19-8-5-6-9-20(19)16-21/h5-6,8-11,14-16H,7,12-13H2,1-4H3
• InChIKey: RPEHXHCUGWRYKR-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 36.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.58
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide (CID 43964268) is N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is Cc1cc(C)c2sc(N(CCCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c1.

What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

The InChIKey is RPEHXHCUGWRYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3OS/c1-17-14-18(2)23-22(15-17)26-25(30-23)28(13-7-12-27(3)4)24(29)21-11-10-19-8-5-6-9-20(19)16-21/h5-6,8-11,14-16H,7,12-13H2,1-4H3.

What are the key properties of N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide?

N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide has a molecular weight of 417.58 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 43964268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).