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

C12H15BrN8O2S3 — CID 162223328

IUPAC4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Br)s1.Nc1nnc(NCCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C10H13N5O2S2.C2H2BrN3S/c11-9-14-15-10(18-9)13-6-5-7-1-3-8(4-2-7)19(12,16)17;3-1-5-6-2(4)7-1/h1-4H,5-6H2,(H2,11,14)(H,13,15)(H2,12,16,17);(H2,4,6)
InChIKeyZUKRFYVKEPARKM-UHFFFAOYSA-N
MW479.41 g/mol
LogP1.31
Rot. Bonds5

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

4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine (PubChem CID 162223328) has the molecular formula C12H15BrN8O2S3 and a molecular weight of 479.41 g/mol. Its IUPAC name is 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine
PubChem CID162223328
Molecular FormulaC12H15BrN8O2S3
Molecular Weight479.41 g/mol
Exact Mass477.97
IUPAC Name4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Br)s1.Nc1nnc(NCCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C10H13N5O2S2.C2H2BrN3S/c11-9-14-15-10(18-9)13-6-5-7-1-3-8(4-2-7)19(12,16)17;3-1-5-6-2(4)7-1/h1-4H,5-6H2,(H2,11,14)(H,13,15)(H2,12,16,17);(H2,4,6)
InChIKeyZUKRFYVKEPARKM-UHFFFAOYSA-N
XLogP1.31
TPSA175.79 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.41
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide
CID 133366022
4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide
CID 58285847
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 114835817
(E)-3-(2-chlorophenyl)-N-[5-[2-(4-sulfamoylphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 6478824
4-[2-[(4,5-dibromothiophen-2-yl)methylamino]ethyl]benzenesulfonamide
CID 102835092
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194577
4-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)ethyl]benzenesulfonamide
CID 54995967
4-[2-[[6-(trifluoromethyl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122157256
4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125
4-[2-[(3-bromo-4-ethoxyphenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17158026

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine?
The IUPAC name of 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine (CID 162223328) is 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine is Nc1nnc(Br)s1.Nc1nnc(NCCc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine?
The InChIKey is ZUKRFYVKEPARKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S2.C2H2BrN3S/c11-9-14-15-10(18-9)13-6-5-7-1-3-8(4-2-7)19(12,16)17;3-1-5-6-2(4)7-1/h1-4H,5-6H2,(H2,11,14)(H,13,15)(H2,12,16,17);(H2,4,6).
What are the key properties of 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine?
4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine has a molecular weight of 479.41 g/mol, XLogP of 1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]ethyl]benzenesulfonamide;5-bromo-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 162223328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).