N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine

C12H21N3S — CID 65271374

IUPACN-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCCC(C)C2C)n1
InChIInChI=1S/C12H21N3S/c1-4-11-14-12(16-15-11)13-10-7-5-6-8(2)9(10)3/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXHLIXNYBLZCOPW-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.34
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65271374) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65271374
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCCC(C)C2C)n1
InChIInChI=1S/C12H21N3S/c1-4-11-14-12(16-15-11)13-10-7-5-6-8(2)9(10)3/h8-10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyXHLIXNYBLZCOPW-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65271374) is N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CCCC(C)C2C)n1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XHLIXNYBLZCOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-4-11-14-12(16-15-11)13-10-7-5-6-8(2)9(10)3/h8-10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 239.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).