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

C12H12N4O2S2 — CID 3244249

IUPACN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide
SMILESCc1csc2nc(CNS(=O)(=O)c3cccnc3)cn12
InChIInChI=1S/C12H12N4O2S2/c1-9-8-19-12-15-10(7-16(9)12)5-14-20(17,18)11-3-2-4-13-6-11/h2-4,6-8,14H,5H2,1H3
InChIKeyYAGFXKVWNFGGHG-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.58
Rot. Bonds4

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

N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide (PubChem CID 3244249) has the molecular formula C12H12N4O2S2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide
PubChem CID3244249
Molecular FormulaC12H12N4O2S2
Molecular Weight308.39 g/mol
Exact Mass308.04
IUPAC NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide
SMILESCc1csc2nc(CNS(=O)(=O)c3cccnc3)cn12
InChIInChI=1S/C12H12N4O2S2/c1-9-8-19-12-15-10(7-16(9)12)5-14-20(17,18)11-3-2-4-13-6-11/h2-4,6-8,14H,5H2,1H3
InChIKeyYAGFXKVWNFGGHG-UHFFFAOYSA-N
XLogP1.58
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide (CID 3244249) is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide is Cc1csc2nc(CNS(=O)(=O)c3cccnc3)cn12.
What is the InChIKey of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is YAGFXKVWNFGGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S2/c1-9-8-19-12-15-10(7-16(9)12)5-14-20(17,18)11-3-2-4-13-6-11/h2-4,6-8,14H,5H2,1H3.
What are the key properties of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide?
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 308.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 3244249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).