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

C10H18N4S — CID 66277926

IUPAC5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC1CCCCCC1Nc1nc(N)ns1
InChIInChI=1S/C10H18N4S/c1-7-5-3-2-4-6-8(7)12-10-13-9(11)14-15-10/h7-8H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyXYMYWYWRMCNSOE-UHFFFAOYSA-N
MW226.35 g/mol
LogP2.50
Rot. Bonds2

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

5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66277926) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66277926
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC1CCCCCC1Nc1nc(N)ns1
InChIInChI=1S/C10H18N4S/c1-7-5-3-2-4-6-8(7)12-10-13-9(11)14-15-10/h7-8H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyXYMYWYWRMCNSOE-UHFFFAOYSA-N
XLogP2.50
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine (CID 66277926) is 5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine is CC1CCCCCC1Nc1nc(N)ns1.
What is the InChIKey of 5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is XYMYWYWRMCNSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-5-3-2-4-6-8(7)12-10-13-9(11)14-15-10/h7-8H,2-6H2,1H3,(H3,11,12,13,14).
What are the key properties of 5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 226.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methylcycloheptyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66277926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).