2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide

C13H11N5O2S2 — CID 110873488

IUPAC2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1nn2cc(CNS(=O)(=O)c3ccccc3C#N)nc2s1
InChIInChI=1S/C13H11N5O2S2/c1-9-17-18-8-11(16-13(18)21-9)7-15-22(19,20)12-5-3-2-4-10(12)6-14/h2-5,8,15H,7H2,1H3
InChIKeyTUDVCHDLDNOUNW-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.45
Rot. Bonds4

About 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide

2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide (PubChem CID 110873488) has the molecular formula C13H11N5O2S2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
PubChem CID110873488
Molecular FormulaC13H11N5O2S2
Molecular Weight333.40 g/mol
Exact Mass333.04
IUPAC Name2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
SMILESCc1nn2cc(CNS(=O)(=O)c3ccccc3C#N)nc2s1
InChIInChI=1S/C13H11N5O2S2/c1-9-17-18-8-11(16-13(18)21-9)7-15-22(19,20)12-5-3-2-4-10(12)6-14/h2-5,8,15H,7H2,1H3
InChIKeyTUDVCHDLDNOUNW-UHFFFAOYSA-N
XLogP1.45
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-Phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)benzenesulfonamide
CID 132547287
N-({1-[(4-cyanophenyl)sulfonyl]-1h-1,2,3-triazol-4-yl}methyl)-1-methyl-1h-imidazole-2-sulfonamide
CID 172052574
N-({2-Ethyl-6-methylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-4-fluoro-3-methylbenzene-1-sulfonamide
CID 53163149
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-4-fluoro-3-methylbenzene-1-sulfonamide
CID 53163241
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-3-(trifluoromethyl)benzene-1-sulfonamide
CID 53163243
N-({2,6-Dimethylimidazo[2,1-B][1,3,4]thiadiazol-5-YL}methyl)-5-fluoro-2-methylbenzene-1-sulfonamide
CID 53163268
4-fluoro-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873471
4-fluoro-3-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873476
4-fluoro-2-methyl-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873477
4-fluoro-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110873575
4-fluoro-3-methyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110873580
4-fluoro-2-methyl-N-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)methyl]benzenesulfonamide
CID 110873581

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide (CID 110873488) is 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide is Cc1nn2cc(CNS(=O)(=O)c3ccccc3C#N)nc2s1.
What is the InChIKey of 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
The InChIKey is TUDVCHDLDNOUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S2/c1-9-17-18-8-11(16-13(18)21-9)7-15-22(19,20)12-5-3-2-4-10(12)6-14/h2-5,8,15H,7H2,1H3.
What are the key properties of 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide?
2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide has a molecular weight of 333.40 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110873488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).