1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide

C19H17ClN4O3S4 — CID 16826658

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide (PubChem CID 16826658) has the molecular formula C19H17ClN4O3S4 and a molecular weight of 513.09 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide
• PubChem CID: 16826658
• Molecular Formula: C19H17ClN4O3S4
• Molecular Weight: 513.09 g/mol
• Exact Mass: 511.99
• IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide
• SMILES: Cc1nc2c(ccc3nc(NC(=O)C4CCCCN4S(=O)(=O)c4ccc(Cl)s4)sc32)s1
• InChI: InChI=1S/C19H17ClN4O3S4/c1-10-21-16-13(28-10)6-5-11-17(16)30-19(22-11)23-18(25)12-4-2-3-9-24(12)31(26,27)15-8-7-14(20)29-15/h5-8,12H,2-4,9H2,1H3,(H,22,23,25)
• InChIKey: XQVRDTKPEZBJKR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 92.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.09
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide?

The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide (CID 16826658) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide.

What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide?

The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide is Cc1nc2c(ccc3nc(NC(=O)C4CCCCN4S(=O)(=O)c4ccc(Cl)s4)sc32)s1.

What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide?

The InChIKey is XQVRDTKPEZBJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S4/c1-10-21-16-13(28-10)6-5-11-17(16)30-19(22-11)23-18(25)12-4-2-3-9-24(12)31(26,27)15-8-7-14(20)29-15/h5-8,12H,2-4,9H2,1H3,(H,22,23,25).

What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide?

1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 513.09 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 16826658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).