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

C13H23N3S — CID 65267763

IUPAC3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(C2CCCC(C)C2)ns1
InChIInChI=1S/C13H23N3S/c1-9(2)8-14-13-15-12(16-17-13)11-6-4-5-10(3)7-11/h9-11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyAKEPGQCEIDNFNJ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.90
Rot. Bonds4

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

3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267763) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65267763
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(C2CCCC(C)C2)ns1
InChIInChI=1S/C13H23N3S/c1-9(2)8-14-13-15-12(16-17-13)11-6-4-5-10(3)7-11/h9-11H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyAKEPGQCEIDNFNJ-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65267763) is 3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(C2CCCC(C)C2)ns1.
What is the InChIKey of 3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is AKEPGQCEIDNFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-9(2)8-14-13-15-12(16-17-13)11-6-4-5-10(3)7-11/h9-11H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of 3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 253.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).