5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide

C10H9N5O4S3 — CID 24508637

IUPAC5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc3sccn3c2[N+](=O)[O-])s1
InChIInChI=1S/C10H9N5O4S3/c11-22(18,19)7-2-1-6(21-7)5-12-8-9(15(16)17)14-3-4-20-10(14)13-8/h1-4,12H,5H2,(H2,11,18,19)
InChIKeyUTYYPJINIURJJY-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.62
Rot. Bonds5

About 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide

5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide (PubChem CID 24508637) has the molecular formula C10H9N5O4S3 and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide
PubChem CID24508637
Molecular FormulaC10H9N5O4S3
Molecular Weight359.41 g/mol
Exact Mass358.98
IUPAC Name5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2nc3sccn3c2[N+](=O)[O-])s1
InChIInChI=1S/C10H9N5O4S3/c11-22(18,19)7-2-1-6(21-7)5-12-8-9(15(16)17)14-3-4-20-10(14)13-8/h1-4,12H,5H2,(H2,11,18,19)
InChIKeyUTYYPJINIURJJY-UHFFFAOYSA-N
XLogP1.62
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide (CID 24508637) is 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CNc2nc3sccn3c2[N+](=O)[O-])s1.
What is the InChIKey of 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide?
The InChIKey is UTYYPJINIURJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4S3/c11-22(18,19)7-2-1-6(21-7)5-12-8-9(15(16)17)14-3-4-20-10(14)13-8/h1-4,12H,5H2,(H2,11,18,19).
What are the key properties of 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide?
5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)amino]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 24508637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).