2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

C12H9N5OS — CID 82219364

IUPAC2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCOCc1nn2c(C#N)c(-c3cccnc3)nc2s1
InChIInChI=1S/C12H9N5OS/c1-18-7-10-16-17-9(5-13)11(15-12(17)19-10)8-3-2-4-14-6-8/h2-4,6H,7H2,1H3
InChIKeyIBCWXWKUYVMGKJ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.87
Rot. Bonds3

About 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile

2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (PubChem CID 82219364) has the molecular formula C12H9N5OS and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.

Molecular Properties

Compound Name2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
PubChem CID82219364
Molecular FormulaC12H9N5OS
Molecular Weight271.31 g/mol
Exact Mass271.05
IUPAC Name2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
SMILESCOCc1nn2c(C#N)c(-c3cccnc3)nc2s1
InChIInChI=1S/C12H9N5OS/c1-18-7-10-16-17-9(5-13)11(15-12(17)19-10)8-3-2-4-14-6-8/h2-4,6H,7H2,1H3
InChIKeyIBCWXWKUYVMGKJ-UHFFFAOYSA-N
XLogP1.87
TPSA76.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-ethylphenyl)-2-(methoxymethyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219042
6-(4-chlorophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219051
6-(furan-2-yl)-2-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219401
6-(4-propoxyphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219118
4-[5-(methoxymethyl)-4-pyridin-3-yl-1H-imidazol-2-yl]benzonitrile
CID 59385123
2-phenyl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219377
2-propan-2-yl-6-pyridin-4-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219370
6-(3,4-difluorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219518
6-(4-fluoro-3-methylphenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219457
2-(2-methoxyethyl)-5-methyl-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CID 82565356
2-[(2-methoxyphenoxy)methyl]-6-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile
CID 82219337
[2-(methoxymethyl)-6-(4-propylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961681

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The IUPAC name of 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile (CID 82219364) is 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile.
What is the SMILES notation for 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The canonical SMILES for 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is COCc1nn2c(C#N)c(-c3cccnc3)nc2s1.
What is the InChIKey of 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
The InChIKey is IBCWXWKUYVMGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5OS/c1-18-7-10-16-17-9(5-13)11(15-12(17)19-10)8-3-2-4-14-6-8/h2-4,6H,7H2,1H3.
What are the key properties of 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile?
2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile has a molecular weight of 271.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole-5-carbonitrile is sourced from PubChem (CID 82219364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).