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

C6H11N3S2 — CID 65268739

IUPAC3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCSCc1nsc(NC)n1
InChIInChI=1S/C6H11N3S2/c1-3-10-4-5-8-6(7-2)11-9-5/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyCTIXNQPBCVSZGX-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.83
Rot. Bonds4

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

3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268739) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65268739
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC Name3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCSCc1nsc(NC)n1
InChIInChI=1S/C6H11N3S2/c1-3-10-4-5-8-6(7-2)11-9-5/h3-4H2,1-2H3,(H,7,8,9)
InChIKeyCTIXNQPBCVSZGX-UHFFFAOYSA-N
XLogP1.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine (CID 65268739) is 3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine is CCSCc1nsc(NC)n1.
What is the InChIKey of 3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CTIXNQPBCVSZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-3-10-4-5-8-6(7-2)11-9-5/h3-4H2,1-2H3,(H,7,8,9).
What are the key properties of 3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine?
3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 189.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).