N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

C25H30ClN5O2S — CID 20889779

About N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide

N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 20889779) has the molecular formula C25H30ClN5O2S and a molecular weight of 500.07 g/mol. Its IUPAC name is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
• PubChem CID: 20889779
• Molecular Formula: C25H30ClN5O2S
• Molecular Weight: 500.07 g/mol
• Exact Mass: 499.18
• IUPAC Name: N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
• SMILES: Cc1ccc(Cl)cc1N1CCN(CCNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1
• InChI: InChI=1S/C25H30ClN5O2S/c1-18-2-4-20(26)17-22(18)30-10-8-29(9-11-30)7-6-27-24(32)19-3-5-21-23(16-19)34-25(28-21)31-12-14-33-15-13-31/h2-5,16-17H,6-15H2,1H3,(H,27,32)
• InChIKey: ZTVMXPPOEHYFEP-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 60.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.07
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?

The IUPAC name of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide (CID 20889779) is N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide.

What is the SMILES notation for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?

The canonical SMILES for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is Cc1ccc(Cl)cc1N1CCN(CCNC(=O)c2ccc3nc(N4CCOCC4)sc3c2)CC1.

What is the InChIKey of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?

The InChIKey is ZTVMXPPOEHYFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2S/c1-18-2-4-20(26)17-22(18)30-10-8-29(9-11-30)7-6-27-24(32)19-3-5-21-23(16-19)34-25(28-21)31-12-14-33-15-13-31/h2-5,16-17H,6-15H2,1H3,(H,27,32).

What are the key properties of N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide?

N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 500.07 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 20889779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).