4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine

C8H8N4S2 — CID 106748859

IUPAC4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine
SMILESNc1ccc(Sc2ncns2)cc1N
InChIInChI=1S/C8H8N4S2/c9-6-2-1-5(3-7(6)10)13-8-11-4-12-14-8/h1-4H,9-10H2
InChIKeyWSUHFLFTVLRBBN-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.85
Rot. Bonds2

About 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine

4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine (PubChem CID 106748859) has the molecular formula C8H8N4S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine
PubChem CID106748859
Molecular FormulaC8H8N4S2
Molecular Weight224.31 g/mol
Exact Mass224.02
IUPAC Name4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine
SMILESNc1ccc(Sc2ncns2)cc1N
InChIInChI=1S/C8H8N4S2/c9-6-2-1-5(3-7(6)10)13-8-11-4-12-14-8/h1-4H,9-10H2
InChIKeyWSUHFLFTVLRBBN-UHFFFAOYSA-N
XLogP1.85
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine?
The IUPAC name of 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine (CID 106748859) is 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine.
What is the SMILES notation for 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine?
The canonical SMILES for 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine is Nc1ccc(Sc2ncns2)cc1N.
What is the InChIKey of 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine?
The InChIKey is WSUHFLFTVLRBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S2/c9-6-2-1-5(3-7(6)10)13-8-11-4-12-14-8/h1-4H,9-10H2.
What are the key properties of 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine?
4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine is sourced from PubChem (CID 106748859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).