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

C19H19N5O2S — CID 58285414

IUPAC5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1OC
InChIInChI=1S/C19H19N5O2S/c1-25-16-4-3-14(11-17(16)26-2)15-12-22-19-24(15)23-18(27-19)21-10-7-13-5-8-20-9-6-13/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,21,23)
InChIKeyVLOIRURHFBUCFB-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.52
Rot. Bonds7

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

5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285414) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285414
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1OC
InChIInChI=1S/C19H19N5O2S/c1-25-16-4-3-14(11-17(16)26-2)15-12-22-19-24(15)23-18(27-19)21-10-7-13-5-8-20-9-6-13/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,21,23)
InChIKeyVLOIRURHFBUCFB-UHFFFAOYSA-N
XLogP3.52
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285414) is 5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1ccc(-c2cnc3sc(NCCc4ccncc4)nn23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is VLOIRURHFBUCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-25-16-4-3-14(11-17(16)26-2)15-12-22-19-24(15)23-18(27-19)21-10-7-13-5-8-20-9-6-13/h3-6,8-9,11-12H,7,10H2,1-2H3,(H,21,23).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 381.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(2-pyridin-4-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).