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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Related Compounds

4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 23603678
3-fluoro-4-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzenesulfonamide
CID 5310095
2-[(pyridin-3-ylsulfonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379320
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-3-sulfonamide
CID 54896202
N-propylpyridine-3-sulfonamide
CID 43258995
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 166611174
2-[2-(pyridin-3-ylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 24701768
2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethanamine;hydrochloride
CID 53396521
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 90555730

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).