5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine

C9H15N3S — CID 106829181

IUPAC5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine
SMILESCC1(c2nc(N)ns2)CCCCC1
InChIInChI=1S/C9H15N3S/c1-9(5-3-2-4-6-9)7-11-8(10)12-13-7/h2-6H2,1H3,(H2,10,12)
InChIKeyGUHFPMMROHZFIM-UHFFFAOYSA-N
MW197.31 g/mol
LogP2.34
Rot. Bonds1

About 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine

5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine (PubChem CID 106829181) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine
PubChem CID106829181
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine
SMILESCC1(c2nc(N)ns2)CCCCC1
InChIInChI=1S/C9H15N3S/c1-9(5-3-2-4-6-9)7-11-8(10)12-13-7/h2-6H2,1H3,(H2,10,12)
InChIKeyGUHFPMMROHZFIM-UHFFFAOYSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine (CID 106829181) is 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine is CC1(c2nc(N)ns2)CCCCC1.
What is the InChIKey of 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is GUHFPMMROHZFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-9(5-3-2-4-6-9)7-11-8(10)12-13-7/h2-6H2,1H3,(H2,10,12).
What are the key properties of 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine?
5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 197.31 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylcyclohexyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 106829181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).