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

C14H25N3S — CID 65271256

IUPAC3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(Nc2nc(C(C)(C)C)ns2)C1C
InChIInChI=1S/C14H25N3S/c1-9-7-6-8-11(10(9)2)15-13-16-12(17-18-13)14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyFOIHOUINNSPBRL-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.07
Rot. Bonds2

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

3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271256) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
PubChem CID65271256
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
SMILESCC1CCCC(Nc2nc(C(C)(C)C)ns2)C1C
InChIInChI=1S/C14H25N3S/c1-9-7-6-8-11(10(9)2)15-13-16-12(17-18-13)14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyFOIHOUINNSPBRL-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine (CID 65271256) is 3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine is CC1CCCC(Nc2nc(C(C)(C)C)ns2)C1C.
What is the InChIKey of 3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FOIHOUINNSPBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-9-7-6-8-11(10(9)2)15-13-16-12(17-18-13)14(3,4)5/h9-11H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine?
3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 267.44 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2,3-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).