3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

C4H7N3S2 — CID 62691499

IUPAC3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCc1nsc(N)n1
InChIInChI=1S/C4H7N3S2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3,(H2,5,6,7)
InChIKeyJGRZQIRBTFSFSR-UHFFFAOYSA-N
MW161.26 g/mol
LogP0.98
Rot. Bonds2

About 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine

3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 62691499) has the molecular formula C4H7N3S2 and a molecular weight of 161.26 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
PubChem CID62691499
Molecular FormulaC4H7N3S2
Molecular Weight161.26 g/mol
Exact Mass161.01
IUPAC Name3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine
SMILESCSCc1nsc(N)n1
InChIInChI=1S/C4H7N3S2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3,(H2,5,6,7)
InChIKeyJGRZQIRBTFSFSR-UHFFFAOYSA-N
XLogP0.98
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-3-methyl-1,2,4-thiadiazole
CID 350639
5-Chloro-3-((methylthio)methyl)-1,2,4-thiadiazole
CID 54274939
2-(5-Amino-1,2,4-thiadiazol-3-yl)ethanethial
CID 19860494
2-[(5-Guanidino-1,2,4-thiadiazol-3-yl)methylthio]ethylamine
CID 20402116
(5-Methyl-1,2,4-thiadiazol-3-yl)methanethiol
CID 20699673
3-Ethylsulfanyl-5-methyl-1,2,4-thiadiazole
CID 21052294
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanethial
CID 54159040
5-Ethylsulfanyl-3-methyl-1,2,4-thiadiazole
CID 54555011
5-Amino-1,2,4-thiadiazole-3-carbothialdehyde
CID 54572132
(3-Methyl-1,2,4-thiadiazol-5-yl)methanethiol
CID 57260787
5-Chloro-3-(propan-2-ylsulfanylmethyl)-1,2,4-thiadiazole
CID 57742581
Dimethyl (3-methyl-1,2,4-thiadiazol-5-yl)carbonimidodithioate
CID 58088048

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine (CID 62691499) is 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is CSCc1nsc(N)n1.
What is the InChIKey of 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JGRZQIRBTFSFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S2/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3,(H2,5,6,7).
What are the key properties of 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine?
3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 161.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 62691499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).