2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride

C7H11ClN4S — CID 71299972

IUPAC2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride
SMILESCc1nn2c(CCN)cnc2s1.Cl
InChIInChI=1S/C7H10N4S.ClH/c1-5-10-11-6(2-3-8)4-9-7(11)12-5;/h4H,2-3,8H2,1H3;1H
InChIKeyMDVQNDGBCIRABQ-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.02
Rot. Bonds2

About 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride

2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 71299972) has the molecular formula C7H11ClN4S and a molecular weight of 218.71 g/mol. Its IUPAC name is 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride
PubChem CID71299972
Molecular FormulaC7H11ClN4S
Molecular Weight218.71 g/mol
Exact Mass218.04
IUPAC Name2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride
SMILESCc1nn2c(CCN)cnc2s1.Cl
InChIInChI=1S/C7H10N4S.ClH/c1-5-10-11-6(2-3-8)4-9-7(11)12-5;/h4H,2-3,8H2,1H3;1H
InChIKeyMDVQNDGBCIRABQ-UHFFFAOYSA-N
XLogP1.02
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride (CID 71299972) is 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride is Cc1nn2c(CCN)cnc2s1.Cl.
What is the InChIKey of 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is MDVQNDGBCIRABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S.ClH/c1-5-10-11-6(2-3-8)4-9-7(11)12-5;/h4H,2-3,8H2,1H3;1H.
What are the key properties of 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride?
2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 218.71 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71299972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).