benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate

C14H15N3O2S — CID 166831637

IUPACbenzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate
SMILESCc1nc2n(c1C(=O)OCc1ccccc1)NC(C)S2
InChIInChI=1S/C14H15N3O2S/c1-9-12(17-14(15-9)20-10(2)16-17)13(18)19-8-11-6-4-3-5-7-11/h3-7,10,16H,8H2,1-2H3
InChIKeyRGPASTPDJBABLJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.54
Rot. Bonds3

About benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate

benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate (PubChem CID 166831637) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate.

Molecular Properties

Compound Namebenzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate
PubChem CID166831637
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Namebenzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate
SMILESCc1nc2n(c1C(=O)OCc1ccccc1)NC(C)S2
InChIInChI=1S/C14H15N3O2S/c1-9-12(17-14(15-9)20-10(2)16-17)13(18)19-8-11-6-4-3-5-7-11/h3-7,10,16H,8H2,1-2H3
InChIKeyRGPASTPDJBABLJ-UHFFFAOYSA-N
XLogP2.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2,5,7-trimethylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 71451114
benzyl 5-methyl-1,3,4-thiadiazole-2-carboxylate
CID 126672044
benzyl benzoate
CID 2345
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
tetrabenzyl 6-methylpyridine-2,3,4,5-tetracarboxylate
CID 126657451
dibenzyl 4,5-dimethylimidazole-1,2-dicarboxylate
CID 134511478
benzyl 3,5-dimethylbenzoate
CID 54359872
dibenzyl 3-methyl-1,2-thiazole-4,5-dicarboxylate
CID 134511518
dibenzyl 5-methyltriazole-2,4-dicarboxylate
CID 134511510
benzyl 2-tert-butyl-5-methyl-1H-imidazole-4-carboxylate
CID 142503574
benzyl 3-iodo-6-methyl-1,2,4-triazine-5-carboxylate
CID 126639292
benzyl acetate;benzyl benzoate
CID 158805672

Frequently Asked Questions

What is the IUPAC name of benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate?
The IUPAC name of benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate (CID 166831637) is benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate.
What is the SMILES notation for benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate?
The canonical SMILES for benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate is Cc1nc2n(c1C(=O)OCc1ccccc1)NC(C)S2.
What is the InChIKey of benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate?
The InChIKey is RGPASTPDJBABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-12(17-14(15-9)20-10(2)16-17)13(18)19-8-11-6-4-3-5-7-11/h3-7,10,16H,8H2,1-2H3.
What are the key properties of benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate?
benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate has a molecular weight of 289.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,6-dimethyl-2,3-dihydroimidazo[2,1-b][1,3,4]thiadiazole-5-carboxylate is sourced from PubChem (CID 166831637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).