1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid

C10H12N4O2S — CID 120964000

IUPAC1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cn2nc(N3CCC(C(=O)O)C3)sc2n1
InChIInChI=1S/C10H12N4O2S/c1-6-4-14-9(11-6)17-10(12-14)13-3-2-7(5-13)8(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)
InChIKeyOYYIOJZEOBMKJG-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.01
Rot. Bonds2

About 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid

1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 120964000) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID120964000
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESCc1cn2nc(N3CCC(C(=O)O)C3)sc2n1
InChIInChI=1S/C10H12N4O2S/c1-6-4-14-9(11-6)17-10(12-14)13-3-2-7(5-13)8(15)16/h4,7H,2-3,5H2,1H3,(H,15,16)
InChIKeyOYYIOJZEOBMKJG-UHFFFAOYSA-N
XLogP1.01
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
CID 30756005
1-(6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 56815477
2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 94210798
N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 48736168
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylic acid
CID 45106341
2-(3-fluorocyclobutyl)-N-[[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-3-yl]methyl]acetamide
CID 167756721
1-(4-acetyl-5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 122048357
[1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55545351
2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol
CID 35417098
2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;hydrochloride
CID 126796985
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98761901

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid (CID 120964000) is 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid is Cc1cn2nc(N3CCC(C(=O)O)C3)sc2n1.
What is the InChIKey of 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is OYYIOJZEOBMKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-6-4-14-9(11-6)17-10(12-14)13-3-2-7(5-13)8(15)16/h4,7H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid?
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 252.30 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120964000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).