6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole

C11H13N5S — CID 107646225

IUPAC6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3cn(C)nc3C)nc2s1
InChIInChI=1S/C11H13N5S/c1-4-10-14-16-6-9(12-11(16)17-10)8-5-15(3)13-7(8)2/h5-6H,4H2,1-3H3
InChIKeyDQVJLGTVYVGKAW-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.06
Rot. Bonds2

About 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole

6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 107646225) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID107646225
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3cn(C)nc3C)nc2s1
InChIInChI=1S/C11H13N5S/c1-4-10-14-16-6-9(12-11(16)17-10)8-5-15(3)13-7(8)2/h5-6H,4H2,1-3H3
InChIKeyDQVJLGTVYVGKAW-UHFFFAOYSA-N
XLogP2.06
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-bromophenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 703338
2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646243
6-(2,4-dimethoxyphenyl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646364
2-ethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209390
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
2-(1,3-dimethylpyrazol-4-yl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840857
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260209
3-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)benzonitrile
CID 107646385
[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]methanol
CID 65194289
2-(2-ethylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-6-methoxy-1-benzofuran-4-ol
CID 130179568
2-ethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CID 602171
6-(2-fluorophenyl)-2-(2-methylpropyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 106260110

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole (CID 107646225) is 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2cc(-c3cn(C)nc3C)nc2s1.
What is the InChIKey of 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DQVJLGTVYVGKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-4-10-14-16-6-9(12-11(16)17-10)8-5-15(3)13-7(8)2/h5-6H,4H2,1-3H3.
What are the key properties of 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole?
6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 247.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dimethylpyrazol-4-yl)-2-ethylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 107646225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).