N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide

C12H13N3O2S3 — CID 5310053

IUPACN-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1csc2nc(CCNS(=O)(=O)c3cccs3)cn12
InChIInChI=1S/C12H13N3O2S3/c1-9-8-19-12-14-10(7-15(9)12)4-5-13-20(16,17)11-3-2-6-18-11/h2-3,6-8,13H,4-5H2,1H3
InChIKeyRKSZOKZKZFTAAH-UHFFFAOYSA-N
MW327.46 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide

N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 5310053) has the molecular formula C12H13N3O2S3 and a molecular weight of 327.46 g/mol. Its IUPAC name is N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide
PubChem CID5310053
Molecular FormulaC12H13N3O2S3
Molecular Weight327.46 g/mol
Exact Mass327.02
IUPAC NameN-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1csc2nc(CCNS(=O)(=O)c3cccs3)cn12
InChIInChI=1S/C12H13N3O2S3/c1-9-8-19-12-14-10(7-15(9)12)4-5-13-20(16,17)11-3-2-6-18-11/h2-3,6-8,13H,4-5H2,1H3
InChIKeyRKSZOKZKZFTAAH-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide (CID 5310053) is N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide is Cc1csc2nc(CCNS(=O)(=O)c3cccs3)cn12.
What is the InChIKey of N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is RKSZOKZKZFTAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S3/c1-9-8-19-12-14-10(7-15(9)12)4-5-13-20(16,17)11-3-2-6-18-11/h2-3,6-8,13H,4-5H2,1H3.
What are the key properties of N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 327.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5310053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).