4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide

C12H13N5O2S2 — CID 58285847

IUPAC4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nn3ccnc3s2)cc1
InChIInChI=1S/C12H13N5O2S2/c13-21(18,19)10-3-1-9(2-4-10)5-6-14-11-16-17-8-7-15-12(17)20-11/h1-4,7-8H,5-6H2,(H,14,16)(H2,13,18,19)
InChIKeyGTLCCXHNFBAZQP-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.09
Rot. Bonds5

About 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide

4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 58285847) has the molecular formula C12H13N5O2S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide
PubChem CID58285847
Molecular FormulaC12H13N5O2S2
Molecular Weight323.40 g/mol
Exact Mass323.05
IUPAC Name4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nn3ccnc3s2)cc1
InChIInChI=1S/C12H13N5O2S2/c13-21(18,19)10-3-1-9(2-4-10)5-6-14-11-16-17-8-7-15-12(17)20-11/h1-4,7-8H,5-6H2,(H,14,16)(H2,13,18,19)
InChIKeyGTLCCXHNFBAZQP-UHFFFAOYSA-N
XLogP1.09
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
CID 67220848
4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
CID 67220617
4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
CID 133366022
4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine
CID 162223328
4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
CID 157016797
4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125
N-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67335635
4-[2-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112861041
4-[2-[[4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 46337620
4-[2-[[4-(4-fluorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941586
4-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 112856046
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569

Frequently Asked Questions

What is the IUPAC name of 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide (CID 58285847) is 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nn3ccnc3s2)cc1.
What is the InChIKey of 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is GTLCCXHNFBAZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S2/c13-21(18,19)10-3-1-9(2-4-10)5-6-14-11-16-17-8-7-15-12(17)20-11/h1-4,7-8H,5-6H2,(H,14,16)(H2,13,18,19).
What are the key properties of 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide?
4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 323.40 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 58285847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).