3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine

C6H11N3OS2 — CID 115657618

IUPAC3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCS(C)=O)n1
InChIInChI=1S/C6H11N3OS2/c1-5-8-6(11-9-5)7-3-4-12(2)10/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyNVLVUGIRMQEHOZ-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.64
Rot. Bonds4

About 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 115657618) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID115657618
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCCS(C)=O)n1
InChIInChI=1S/C6H11N3OS2/c1-5-8-6(11-9-5)7-3-4-12(2)10/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyNVLVUGIRMQEHOZ-UHFFFAOYSA-N
XLogP0.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine (CID 115657618) is 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCCS(C)=O)n1.
What is the InChIKey of 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NVLVUGIRMQEHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c1-5-8-6(11-9-5)7-3-4-12(2)10/h3-4H2,1-2H3,(H,7,8,9).
What are the key properties of 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 205.31 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylsulfinylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115657618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).