N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide

C22H19ClN2O2S — CID 43984683

About N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide

N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide (PubChem CID 43984683) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
• PubChem CID: 43984683
• Molecular Formula: C22H19ClN2O2S
• Molecular Weight: 410.93 g/mol
• Exact Mass: 410.09
• IUPAC Name: N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide
• SMILES: CCCn1/c(=N/C(=O)c2cc3ccccc3cc2OC)sc2cc(Cl)ccc21
• InChI: InChI=1S/C22H19ClN2O2S/c1-3-10-25-18-9-8-16(23)13-20(18)28-22(25)24-21(26)17-11-14-6-4-5-7-15(14)12-19(17)27-2/h4-9,11-13H,3,10H2,1-2H3/b24-22-
• InChIKey: CUWMBADBLVYJML-GYHWCHFESA-N
• XLogP: 5.67
• TPSA: 43.59 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.93
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide?

The IUPAC name of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide (CID 43984683) is N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide.

What is the SMILES notation for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide?

The canonical SMILES for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide is CCCn1/c(=N/C(=O)c2cc3ccccc3cc2OC)sc2cc(Cl)ccc21.

What is the InChIKey of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide?

The InChIKey is CUWMBADBLVYJML-GYHWCHFESA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-3-10-25-18-9-8-16(23)13-20(18)28-22(25)24-21(26)17-11-14-6-4-5-7-15(14)12-19(17)27-2/h4-9,11-13H,3,10H2,1-2H3/b24-22-.

What are the key properties of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide?

N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 43984683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).