N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide

C24H26N4O2S — CID 43998230

About N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide (PubChem CID 43998230) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
• PubChem CID: 43998230
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
• SMILES: Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)c3c[nH]c4ccccc34)nc2c1
• InChI: InChI=1S/C24H26N4O2S/c1-16-13-17(2)22-21(14-16)26-24(31-22)28(8-7-27-9-11-30-12-10-27)23(29)19-15-25-20-6-4-3-5-18(19)20/h3-6,13-15,25H,7-12H2,1-2H3
• InChIKey: HKSKJDKOTZISJH-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?

The IUPAC name of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide (CID 43998230) is N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide.

What is the SMILES notation for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?

The canonical SMILES for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide is Cc1cc(C)c2sc(N(CCN3CCOCC3)C(=O)c3c[nH]c4ccccc34)nc2c1.

What is the InChIKey of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?

The InChIKey is HKSKJDKOTZISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-16-13-17(2)22-21(14-16)26-24(31-22)28(8-7-27-9-11-30-12-10-27)23(29)19-15-25-20-6-4-3-5-18(19)20/h3-6,13-15,25H,7-12H2,1-2H3.

What are the key properties of N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide?

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 43998230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).