5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C19H17ClN4O2S2 — CID 18589917

About 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 18589917) has the molecular formula C19H17ClN4O2S2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
• PubChem CID: 18589917
• Molecular Formula: C19H17ClN4O2S2
• Molecular Weight: 432.96 g/mol
• Exact Mass: 432.05
• IUPAC Name: 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
• SMILES: COc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)sc2c1
• InChI: InChI=1S/C19H17ClN4O2S2/c1-26-13-3-4-14-16(11-13)28-19(22-14)24(9-2-8-23-10-7-21-12-23)18(25)15-5-6-17(20)27-15/h3-7,10-12H,2,8-9H2,1H3
• InChIKey: YZKDEKNZRUCGGV-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.96
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 18589917) is 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is COc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)sc2c1.

What is the InChIKey of 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

The InChIKey is YZKDEKNZRUCGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S2/c1-26-13-3-4-14-16(11-13)28-19(22-14)24(9-2-8-23-10-7-21-12-23)18(25)15-5-6-17(20)27-15/h3-7,10-12H,2,8-9H2,1H3.

What are the key properties of 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?

5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 432.96 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(3-imidazol-1-ylpropyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 18589917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).