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

C18H17N5O2S — CID 58285798

IUPAC5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCc4cccnc4)nn23)cc1OC
InChIInChI=1S/C18H17N5O2S/c1-24-15-6-5-13(8-16(15)25-2)14-11-21-18-23(14)22-17(26-18)20-10-12-4-3-7-19-9-12/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyICNKNAFQXJEHDJ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.48
Rot. Bonds6

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

5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285798) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285798
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(-c2cnc3sc(NCc4cccnc4)nn23)cc1OC
InChIInChI=1S/C18H17N5O2S/c1-24-15-6-5-13(8-16(15)25-2)14-11-21-18-23(14)22-17(26-18)20-10-12-4-3-7-19-9-12/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyICNKNAFQXJEHDJ-UHFFFAOYSA-N
XLogP3.48
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.48
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-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285798) is 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1ccc(-c2cnc3sc(NCc4cccnc4)nn23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is ICNKNAFQXJEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-24-15-6-5-13(8-16(15)25-2)14-11-21-18-23(14)22-17(26-18)20-10-12-4-3-7-19-9-12/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 367.43 g/mol, XLogP of 3.48, 6 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-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).