2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide

C19H19Cl2N3O3S2 — CID 29137942

About 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide

2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide (PubChem CID 29137942) has the molecular formula C19H19Cl2N3O3S2 and a molecular weight of 472.42 g/mol. Its IUPAC name is 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
• PubChem CID: 29137942
• Molecular Formula: C19H19Cl2N3O3S2
• Molecular Weight: 472.42 g/mol
• Exact Mass: 471.02
• IUPAC Name: 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide
• SMILES: COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc(Cl)sc3Cl)sc2c1
• InChI: InChI=1S/C19H19Cl2N3O3S2/c1-26-12-2-3-14-15(10-12)28-19(22-14)24(5-4-23-6-8-27-9-7-23)18(25)13-11-16(20)29-17(13)21/h2-3,10-11H,4-9H2,1H3
• InChIKey: OUXSFRQFIPZNRP-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 54.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.42
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?

The IUPAC name of 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide (CID 29137942) is 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide.

What is the SMILES notation for 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?

The canonical SMILES for 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide is COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc(Cl)sc3Cl)sc2c1.

What is the InChIKey of 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?

The InChIKey is OUXSFRQFIPZNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O3S2/c1-26-12-2-3-14-15(10-12)28-19(22-14)24(5-4-23-6-8-27-9-7-23)18(25)13-11-16(20)29-17(13)21/h2-3,10-11H,4-9H2,1H3.

What are the key properties of 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide?

2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide has a molecular weight of 472.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 29137942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).