5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile

C18H13N5O2S — CID 66716849

IUPAC5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)cc1OC
InChIInChI=1S/C18H13N5O2S/c1-24-15-6-4-11(7-16(15)25-2)17-22-23-14(10-21-18(23)26-17)12-3-5-13(8-19)20-9-12/h3-7,9-10H,1-2H3
InChIKeyNJNVCRQDBBXSPC-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.41
Rot. Bonds4

About 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile

5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 66716849) has the molecular formula C18H13N5O2S and a molecular weight of 363.40 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID66716849
Molecular FormulaC18H13N5O2S
Molecular Weight363.40 g/mol
Exact Mass363.08
IUPAC Name5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)cc1OC
InChIInChI=1S/C18H13N5O2S/c1-24-15-6-4-11(7-16(15)25-2)17-22-23-14(10-21-18(23)26-17)12-3-5-13(8-19)20-9-12/h3-7,9-10H,1-2H3
InChIKeyNJNVCRQDBBXSPC-UHFFFAOYSA-N
XLogP3.41
TPSA85.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile (CID 66716849) is 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile is COc1ccc(-c2nn3c(-c4ccc(C#N)nc4)cnc3s2)cc1OC.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is NJNVCRQDBBXSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2S/c1-24-15-6-4-11(7-16(15)25-2)17-22-23-14(10-21-18(23)26-17)12-3-5-13(8-19)20-9-12/h3-7,9-10H,1-2H3.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile?
5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 363.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 66716849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).