N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide

C10H9N3O2S3 — CID 3245249

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cn2ccsc2n1)c1cccs1
InChIInChI=1S/C10H9N3O2S3/c14-18(15,9-2-1-4-16-9)11-6-8-7-13-3-5-17-10(13)12-8/h1-5,7,11H,6H2
InChIKeyNLROOBDRHFOZEG-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.94
Rot. Bonds4

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide (PubChem CID 3245249) has the molecular formula C10H9N3O2S3 and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide
PubChem CID3245249
Molecular FormulaC10H9N3O2S3
Molecular Weight299.40 g/mol
Exact Mass298.99
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cn2ccsc2n1)c1cccs1
InChIInChI=1S/C10H9N3O2S3/c14-18(15,9-2-1-4-16-9)11-6-8-7-13-3-5-17-10(13)12-8/h1-5,7,11H,6H2
InChIKeyNLROOBDRHFOZEG-UHFFFAOYSA-N
XLogP1.94
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide (CID 3245249) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(NCc1cn2ccsc2n1)c1cccs1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is NLROOBDRHFOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S3/c14-18(15,9-2-1-4-16-9)11-6-8-7-13-3-5-17-10(13)12-8/h1-5,7,11H,6H2.
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3245249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).