4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine

C8H6ClFN4S2 — CID 103553925

IUPAC4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine
SMILESNc1cc(N)c(Sc2ncns2)c(F)c1Cl
InChIInChI=1S/C8H6ClFN4S2/c9-5-3(11)1-4(12)7(6(5)10)15-8-13-2-14-16-8/h1-2H,11-12H2
InChIKeyGSUVLGANRMPAEE-UHFFFAOYSA-N
MW276.75 g/mol
LogP2.65
Rot. Bonds2

About 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine

4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine (PubChem CID 103553925) has the molecular formula C8H6ClFN4S2 and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine
PubChem CID103553925
Molecular FormulaC8H6ClFN4S2
Molecular Weight276.75 g/mol
Exact Mass275.97
IUPAC Name4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine
SMILESNc1cc(N)c(Sc2ncns2)c(F)c1Cl
InChIInChI=1S/C8H6ClFN4S2/c9-5-3(11)1-4(12)7(6(5)10)15-8-13-2-14-16-8/h1-2H,11-12H2
InChIKeyGSUVLGANRMPAEE-UHFFFAOYSA-N
XLogP2.65
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-fluoro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]benzene-1,3-diamine
CID 103553856
4-chloro-5-fluoro-6-pyrazin-2-ylsulfanylbenzene-1,3-diamine
CID 103553904
4-chloro-6-(3,4-difluorophenyl)sulfanyl-5-fluorobenzene-1,3-diamine
CID 103553867
4-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,2-diamine
CID 106748859
4-chloro-5-fluoro-6-propan-2-ylsulfanylbenzene-1,3-diamine
CID 103553880
4-methyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-2-amine
CID 80894692
4-chloro-5-fluoro-6-(3-methylbutan-2-ylsulfanyl)benzene-1,3-diamine
CID 107747951
4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridin-3-amine
CID 65275012
4-butan-2-ylsulfanyl-6-chloro-5-fluorobenzene-1,3-diamine
CID 103553859
3-methyl-5-(1,2,4-thiadiazol-5-ylsulfanyl)isoquinolin-8-amine
CID 102714165
1-methyl-3-(1,2,4-thiadiazol-5-ylsulfanyl)pyrazol-4-amine
CID 103079624
4-chloro-5-fluoro-6-pentylsulfanylbenzene-1,3-diamine
CID 107747792

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine?
The IUPAC name of 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine (CID 103553925) is 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine?
The canonical SMILES for 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine is Nc1cc(N)c(Sc2ncns2)c(F)c1Cl.
What is the InChIKey of 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine?
The InChIKey is GSUVLGANRMPAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4S2/c9-5-3(11)1-4(12)7(6(5)10)15-8-13-2-14-16-8/h1-2H,11-12H2.
What are the key properties of 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine?
4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine has a molecular weight of 276.75 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-(1,2,4-thiadiazol-5-ylsulfanyl)benzene-1,3-diamine is sourced from PubChem (CID 103553925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).