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

C10H17N3S2 — CID 103703272

IUPAC3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCSC1CCCC(Nc2nc(C)ns2)C1
InChIInChI=1S/C10H17N3S2/c1-7-11-10(15-13-7)12-8-4-3-5-9(6-8)14-2/h8-9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyFWKSIKNUUCGXQT-UHFFFAOYSA-N
MW243.40 g/mol
LogP2.93
Rot. Bonds3

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

3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103703272) has the molecular formula C10H17N3S2 and a molecular weight of 243.40 g/mol. Its IUPAC name is 3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID103703272
Molecular FormulaC10H17N3S2
Molecular Weight243.40 g/mol
Exact Mass243.09
IUPAC Name3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCSC1CCCC(Nc2nc(C)ns2)C1
InChIInChI=1S/C10H17N3S2/c1-7-11-10(15-13-7)12-8-4-3-5-9(6-8)14-2/h8-9H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyFWKSIKNUUCGXQT-UHFFFAOYSA-N
XLogP2.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 103703272) is 3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine is CSC1CCCC(Nc2nc(C)ns2)C1.
What is the InChIKey of 3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FWKSIKNUUCGXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S2/c1-7-11-10(15-13-7)12-8-4-3-5-9(6-8)14-2/h8-9H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 243.40 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylsulfanylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103703272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).