5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C21H23N5O2S — CID 58285860

IUPAC5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCc1cc(-c2cnc3sc(NCCc4ccccn4)nn23)cc(OC)c1OC
InChIInChI=1S/C21H23N5O2S/c1-4-14-11-15(12-18(27-2)19(14)28-3)17-13-24-21-26(17)25-20(29-21)23-10-8-16-7-5-6-9-22-16/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,23,25)
InChIKeyWWLRQWWVLRQMIP-UHFFFAOYSA-N
MW409.52 g/mol
LogP4.09
Rot. Bonds8

About 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285860) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285860
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCc1cc(-c2cnc3sc(NCCc4ccccn4)nn23)cc(OC)c1OC
InChIInChI=1S/C21H23N5O2S/c1-4-14-11-15(12-18(27-2)19(14)28-3)17-13-24-21-26(17)25-20(29-21)23-10-8-16-7-5-6-9-22-16/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,23,25)
InChIKeyWWLRQWWVLRQMIP-UHFFFAOYSA-N
XLogP4.09
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285860) is 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is CCc1cc(-c2cnc3sc(NCCc4ccccn4)nn23)cc(OC)c1OC.
What is the InChIKey of 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is WWLRQWWVLRQMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-4-14-11-15(12-18(27-2)19(14)28-3)17-13-24-21-26(17)25-20(29-21)23-10-8-16-7-5-6-9-22-16/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,23,25).
What are the key properties of 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 409.52 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).