5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

C11H20N4S — CID 66280114

IUPAC5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCC1CCC(N(C)c2nc(N)ns2)CC1
InChIInChI=1S/C11H20N4S/c1-3-8-4-6-9(7-5-8)15(2)11-13-10(12)14-16-11/h8-9H,3-7H2,1-2H3,(H2,12,14)
InChIKeyUHJPNSIQJROBGH-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.53
Rot. Bonds3

About 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280114) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280114
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCCC1CCC(N(C)c2nc(N)ns2)CC1
InChIInChI=1S/C11H20N4S/c1-3-8-4-6-9(7-5-8)15(2)11-13-10(12)14-16-11/h8-9H,3-7H2,1-2H3,(H2,12,14)
InChIKeyUHJPNSIQJROBGH-UHFFFAOYSA-N
XLogP2.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (CID 66280114) is 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is CCC1CCC(N(C)c2nc(N)ns2)CC1.
What is the InChIKey of 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is UHJPNSIQJROBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-8-4-6-9(7-5-8)15(2)11-13-10(12)14-16-11/h8-9H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 240.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-ethylcyclohexyl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).