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

C19H20Cl2N4O2S2 — CID 44896189

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

2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide (PubChem CID 44896189) has the molecular formula C19H20Cl2N4O2S2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
• PubChem CID: 44896189
• Molecular Formula: C19H20Cl2N4O2S2
• Molecular Weight: 471.44 g/mol
• Exact Mass: 470.04
• IUPAC Name: 2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
• SMILES: COc1ccc2nc(N3CCN(CCNC(=O)c4cc(Cl)sc4Cl)CC3)sc2c1
• InChI: InChI=1S/C19H20Cl2N4O2S2/c1-27-12-2-3-14-15(10-12)28-19(23-14)25-8-6-24(7-9-25)5-4-22-18(26)13-11-16(20)29-17(13)21/h2-3,10-11H,4-9H2,1H3,(H,22,26)
• InChIKey: ZQGBKQAIZCISCI-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.44
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide (CID 44896189) is 2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide.

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

The canonical SMILES for 2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide is COc1ccc2nc(N3CCN(CCNC(=O)c4cc(Cl)sc4Cl)CC3)sc2c1.

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

The InChIKey is ZQGBKQAIZCISCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2S2/c1-27-12-2-3-14-15(10-12)28-19(23-14)25-8-6-24(7-9-25)5-4-22-18(26)13-11-16(20)29-17(13)21/h2-3,10-11H,4-9H2,1H3,(H,22,26).

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

2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[2-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 44896189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).