5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide

C20H23N3O2S2 — CID 46518495

About 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide (PubChem CID 46518495) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide
• PubChem CID: 46518495
• Molecular Formula: C20H23N3O2S2
• Molecular Weight: 401.56 g/mol
• Exact Mass: 401.12
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide
• SMILES: CC1CN(CCNC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC(C)O1
• InChI: InChI=1S/C20H23N3O2S2/c1-13-11-23(12-14(2)25-13)10-9-21-19(24)17-7-8-18(26-17)20-22-15-5-3-4-6-16(15)27-20/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)
• InChIKey: MAGZRUMZHRUUDD-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.56
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide?

The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide (CID 46518495) is 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide?

The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide is CC1CN(CCNC(=O)c2ccc(-c3nc4ccccc4s3)s2)CC(C)O1.

What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide?

The InChIKey is MAGZRUMZHRUUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-13-11-23(12-14(2)25-13)10-9-21-19(24)17-7-8-18(26-17)20-22-15-5-3-4-6-16(15)27-20/h3-8,13-14H,9-12H2,1-2H3,(H,21,24).

What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide?

5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 401.56 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1,3-benzothiazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46518495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).