N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide

C17H19N5O3S3 — CID 56535717

About N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide

N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide (PubChem CID 56535717) has the molecular formula C17H19N5O3S3 and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide
• PubChem CID: 56535717
• Molecular Formula: C17H19N5O3S3
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.07
• IUPAC Name: N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide
• SMILES: CC(NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2nc3cccnc3s2)CC1
• InChI: InChI=1S/C17H19N5O3S3/c1-12(20-28(24,25)14-5-3-11-26-14)16(23)21-7-9-22(10-8-21)17-19-13-4-2-6-18-15(13)27-17/h2-6,11-12,20H,7-10H2,1H3
• InChIKey: GQRFSEGYNVGHIC-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide?

The IUPAC name of N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide (CID 56535717) is N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide.

What is the SMILES notation for N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide?

The canonical SMILES for N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2nc3cccnc3s2)CC1.

What is the InChIKey of N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide?

The InChIKey is GQRFSEGYNVGHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S3/c1-12(20-28(24,25)14-5-3-11-26-14)16(23)21-7-9-22(10-8-21)17-19-13-4-2-6-18-15(13)27-17/h2-6,11-12,20H,7-10H2,1H3.

What are the key properties of N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide?

N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide has a molecular weight of 437.57 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-oxo-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 56535717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).