4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline

C10H11N3S3 — CID 115382743

IUPAC4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
SMILESCSc1nnc(Sc2cc(N)ccc2C)s1
InChIInChI=1S/C10H11N3S3/c1-6-3-4-7(11)5-8(6)15-10-13-12-9(14-2)16-10/h3-5H,11H2,1-2H3
InChIKeyZMTIWGLUPACSTK-UHFFFAOYSA-N
MW269.42 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline

4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline (PubChem CID 115382743) has the molecular formula C10H11N3S3 and a molecular weight of 269.42 g/mol. Its IUPAC name is 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
PubChem CID115382743
Molecular FormulaC10H11N3S3
Molecular Weight269.42 g/mol
Exact Mass269.01
IUPAC Name4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
SMILESCSc1nnc(Sc2cc(N)ccc2C)s1
InChIInChI=1S/C10H11N3S3/c1-6-3-4-7(11)5-8(6)15-10-13-12-9(14-2)16-10/h3-5H,11H2,1-2H3
InChIKeyZMTIWGLUPACSTK-UHFFFAOYSA-N
XLogP3.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
CID 115382787
5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382763
2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382740
4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 113298641
2-methyl-N-[[3-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methyl]propan-1-amine
CID 115383928
[4-methoxy-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 115383195
4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinolin-7-amine
CID 103002541
(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 113298870
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 115384369
(1S)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959625
3-(2-chlorophenyl)sulfanyl-4-methylaniline
CID 62590920
3-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzonitrile
CID 113298615

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The IUPAC name of 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline (CID 115382743) is 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline is CSc1nnc(Sc2cc(N)ccc2C)s1.
What is the InChIKey of 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The InChIKey is ZMTIWGLUPACSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S3/c1-6-3-4-7(11)5-8(6)15-10-13-12-9(14-2)16-10/h3-5H,11H2,1-2H3.
What are the key properties of 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline has a molecular weight of 269.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 115382743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).