5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine

C12H21N3S — CID 64543049

IUPAC5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine
SMILESCC(C)(C)C1CCC(c2nc(N)ns2)CC1
InChIInChI=1S/C12H21N3S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)15-16-10/h8-9H,4-7H2,1-3H3,(H2,13,15)
InChIKeyLZEUIWPBSZPOTB-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.44
Rot. Bonds1

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

5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine (PubChem CID 64543049) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine
PubChem CID64543049
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine
SMILESCC(C)(C)C1CCC(c2nc(N)ns2)CC1
InChIInChI=1S/C12H21N3S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)15-16-10/h8-9H,4-7H2,1-3H3,(H2,13,15)
InChIKeyLZEUIWPBSZPOTB-UHFFFAOYSA-N
XLogP3.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine (CID 64543049) is 5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine is CC(C)(C)C1CCC(c2nc(N)ns2)CC1.
What is the InChIKey of 5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is LZEUIWPBSZPOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,3)9-6-4-8(5-7-9)10-14-11(13)15-16-10/h8-9H,4-7H2,1-3H3,(H2,13,15).
What are the key properties of 5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine?
5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 239.39 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylcyclohexyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64543049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).