4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide

C13H16N4O2S2 — CID 133366022

IUPAC4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C13H16N4O2S2/c14-21(18,19)11-5-1-9(2-6-11)7-8-15-13-17-16-12(20-13)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,15,17)(H2,14,18,19)
InChIKeyFOCMCCAWPVMTKW-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.72
Rot. Bonds6

About 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide

4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide (PubChem CID 133366022) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
PubChem CID133366022
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C13H16N4O2S2/c14-21(18,19)11-5-1-9(2-6-11)7-8-15-13-17-16-12(20-13)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,15,17)(H2,14,18,19)
InChIKeyFOCMCCAWPVMTKW-UHFFFAOYSA-N
XLogP1.72
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide
CID 58285847
4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
CID 54995967
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
(E)-3-(2-chlorophenyl)-N-[5-[2-(4-sulfamoylphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 6478824
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 3590275
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122157256
N-cyclopropyl-4-[2-(4-sulfamoylphenyl)ethylamino]pyridine-2-carboxamide
CID 109201734
4-[2-[[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 91793394
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide (CID 133366022) is 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2nnc(C3CC3)s2)cc1.
What is the InChIKey of 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide?
The InChIKey is FOCMCCAWPVMTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c14-21(18,19)11-5-1-9(2-6-11)7-8-15-13-17-16-12(20-13)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,15,17)(H2,14,18,19).
What are the key properties of 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide?
4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 133366022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).