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

C12H13N3O2S3 — CID 3237455

IUPAC5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)s1
InChIInChI=1S/C12H13N3O2S3/c1-2-10-3-4-11(19-10)20(16,17)13-7-9-8-15-5-6-18-12(15)14-9/h3-6,8,13H,2,7H2,1H3
InChIKeyOBPIKKAFFIRJDT-UHFFFAOYSA-N
MW327.46 g/mol
LogP2.50
Rot. Bonds5

About 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide

5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide (PubChem CID 3237455) has the molecular formula C12H13N3O2S3 and a molecular weight of 327.46 g/mol. Its IUPAC name is 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide
PubChem CID3237455
Molecular FormulaC12H13N3O2S3
Molecular Weight327.46 g/mol
Exact Mass327.02
IUPAC Name5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)s1
InChIInChI=1S/C12H13N3O2S3/c1-2-10-3-4-11(19-10)20(16,17)13-7-9-8-15-5-6-18-12(15)14-9/h3-6,8,13H,2,7H2,1H3
InChIKeyOBPIKKAFFIRJDT-UHFFFAOYSA-N
XLogP2.50
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide (CID 3237455) is 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)s1.
What is the InChIKey of 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is OBPIKKAFFIRJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S3/c1-2-10-3-4-11(19-10)20(16,17)13-7-9-8-15-5-6-18-12(15)14-9/h3-6,8,13H,2,7H2,1H3.
What are the key properties of 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide?
5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 327.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3237455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).