2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine

C10H14N4S — CID 82473071

IUPAC2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine
SMILESNc1cn2nc(C3CCCCC3)sc2n1
InChIInChI=1S/C10H14N4S/c11-8-6-14-10(12-8)15-9(13-14)7-4-2-1-3-5-7/h6-7H,1-5,11H2
InChIKeyQSSVZVDLRFTSAY-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.42
Rot. Bonds1

About 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine

2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine (PubChem CID 82473071) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine.

Molecular Properties

Compound Name2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine
PubChem CID82473071
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine
SMILESNc1cn2nc(C3CCCCC3)sc2n1
InChIInChI=1S/C10H14N4S/c11-8-6-14-10(12-8)15-9(13-14)7-4-2-1-3-5-7/h6-7H,1-5,11H2
InChIKeyQSSVZVDLRFTSAY-UHFFFAOYSA-N
XLogP2.42
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine?
The IUPAC name of 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine (CID 82473071) is 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine.
What is the SMILES notation for 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine?
The canonical SMILES for 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine is Nc1cn2nc(C3CCCCC3)sc2n1.
What is the InChIKey of 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine?
The InChIKey is QSSVZVDLRFTSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c11-8-6-14-10(12-8)15-9(13-14)7-4-2-1-3-5-7/h6-7H,1-5,11H2.
What are the key properties of 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine?
2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine has a molecular weight of 222.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine is sourced from PubChem (CID 82473071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).