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

C12H13ClN4S — CID 82020637

IUPAC2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C12H12N4S.ClH/c13-7-6-11-15-16-8-10(14-12(16)17-11)9-4-2-1-3-5-9;/h1-5,8H,6-7,13H2;1H
InChIKeySSOGFAWAFFVAEL-UHFFFAOYSA-N
MW280.78 g/mol
LogP2.38
Rot. Bonds3

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

2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride (PubChem CID 82020637) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
PubChem CID82020637
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nn2cc(-c3ccccc3)nc2s1
InChIInChI=1S/C12H12N4S.ClH/c13-7-6-11-15-16-8-10(14-12(16)17-11)9-4-2-1-3-5-9;/h1-5,8H,6-7,13H2;1H
InChIKeySSOGFAWAFFVAEL-UHFFFAOYSA-N
XLogP2.38
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride (CID 82020637) is 2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride is Cl.NCCc1nn2cc(-c3ccccc3)nc2s1.
What is the InChIKey of 2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is SSOGFAWAFFVAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S.ClH/c13-7-6-11-15-16-8-10(14-12(16)17-11)9-4-2-1-3-5-9;/h1-5,8H,6-7,13H2;1H.
What are the key properties of 2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride?
2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 280.78 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 82020637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).