2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine

C12H11ClN4S — CID 28750647

IUPAC2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
SMILESNCCc1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C12H11ClN4S/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)18-11(16-17)5-6-14/h1-4,7H,5-6,14H2
InChIKeyVETAAZZXWSNXBU-UHFFFAOYSA-N
MW278.77 g/mol
LogP2.61
Rot. Bonds3

About 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine (PubChem CID 28750647) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
PubChem CID28750647
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
SMILESNCCc1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C12H11ClN4S/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)18-11(16-17)5-6-14/h1-4,7H,5-6,14H2
InChIKeyVETAAZZXWSNXBU-UHFFFAOYSA-N
XLogP2.61
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine?
The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine (CID 28750647) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine?
The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine is NCCc1nn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine?
The InChIKey is VETAAZZXWSNXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c13-9-3-1-8(2-4-9)10-7-17-12(15-10)18-11(16-17)5-6-14/h1-4,7H,5-6,14H2.
What are the key properties of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine?
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine has a molecular weight of 278.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 28750647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).