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

C10H11N3S3 — CID 115382763

IUPAC5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
SMILESCSc1nnc(Sc2ccc(C)cc2N)s1
InChIInChI=1S/C10H11N3S3/c1-6-3-4-8(7(11)5-6)15-10-13-12-9(14-2)16-10/h3-5H,11H2,1-2H3
InChIKeyJJHOICOTOHIYPG-UHFFFAOYSA-N
MW269.42 g/mol
LogP3.30
Rot. Bonds3

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

5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline (PubChem CID 115382763) has the molecular formula C10H11N3S3 and a molecular weight of 269.42 g/mol. Its IUPAC name is 5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
PubChem CID115382763
Molecular FormulaC10H11N3S3
Molecular Weight269.42 g/mol
Exact Mass269.01
IUPAC Name5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
SMILESCSc1nnc(Sc2ccc(C)cc2N)s1
InChIInChI=1S/C10H11N3S3/c1-6-3-4-8(7(11)5-6)15-10-13-12-9(14-2)16-10/h3-5H,11H2,1-2H3
InChIKeyJJHOICOTOHIYPG-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-methyl-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382743
4-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 113298641
2-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115382740
5-iodo-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 66082760
3-amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
CID 60875411
2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
CID 3555790
(1S)-1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol
CID 113298870
2-[5-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114057623
3-chloro-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzonitrile
CID 113298615
1-[5-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanone
CID 115280290
2-[1-(4-methylphenyl)ethylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 54320433
4-amino-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide
CID 115382787

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The IUPAC name of 5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline (CID 115382763) is 5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline is CSc1nnc(Sc2ccc(C)cc2N)s1.
What is the InChIKey of 5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
The InChIKey is JJHOICOTOHIYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S3/c1-6-3-4-8(7(11)5-6)15-10-13-12-9(14-2)16-10/h3-5H,11H2,1-2H3.
What are the key properties of 5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline?
5-methyl-2-[(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 5-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 115382763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).