1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride

C7H11ClN4S — CID 82020630

IUPAC1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
SMILESCc1cn2nc(C(C)N)sc2n1.Cl
InChIInChI=1S/C7H10N4S.ClH/c1-4-3-11-7(9-4)12-6(10-11)5(2)8;/h3,5H,8H2,1-2H3;1H
InChIKeySRSYSRGUXZPPCO-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.54
Rot. Bonds1

About 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride

1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride (PubChem CID 82020630) has the molecular formula C7H11ClN4S and a molecular weight of 218.71 g/mol. Its IUPAC name is 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
PubChem CID82020630
Molecular FormulaC7H11ClN4S
Molecular Weight218.71 g/mol
Exact Mass218.04
IUPAC Name1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
SMILESCc1cn2nc(C(C)N)sc2n1.Cl
InChIInChI=1S/C7H10N4S.ClH/c1-4-3-11-7(9-4)12-6(10-11)5(2)8;/h3,5H,8H2,1-2H3;1H
InChIKeySRSYSRGUXZPPCO-UHFFFAOYSA-N
XLogP1.54
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride (CID 82020630) is 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride is Cc1cn2nc(C(C)N)sc2n1.Cl.
What is the InChIKey of 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is SRSYSRGUXZPPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S.ClH/c1-4-3-11-7(9-4)12-6(10-11)5(2)8;/h3,5H,8H2,1-2H3;1H.
What are the key properties of 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride?
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 218.71 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 82020630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).