1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C15H21N5OS — CID 98761901

IUPAC1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1nn2cc(C)nc2s1
InChIInChI=1S/C15H21N5OS/c1-10-9-20-14(16-10)22-15(17-20)19-8-4-6-13(19)12-5-3-7-18(12)11(2)21/h9,12-13H,3-8H2,1-2H3/t12-,13+/m1/s1
InChIKeyDRYVXXNZHZLBMN-OLZOCXBDSA-N
MW319.43 g/mol
LogP2.08
Rot. Bonds2

About 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 98761901) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID98761901
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1nn2cc(C)nc2s1
InChIInChI=1S/C15H21N5OS/c1-10-9-20-14(16-10)22-15(17-20)19-8-4-6-13(19)12-5-3-7-18(12)11(2)21/h9,12-13H,3-8H2,1-2H3/t12-,13+/m1/s1
InChIKeyDRYVXXNZHZLBMN-OLZOCXBDSA-N
XLogP2.08
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2R)-2-[(2R)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758361
N-cyclopropyl-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 47279938
6-methyl-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 95342986
N-cyclopropyl-5-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129328981
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
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
ethyl 1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidine-4-carboxylate
CID 30756005
6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95303369
[(2R)-1-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]methanol
CID 71935841
N-methyl-N-[1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-4-yl]methanesulfonamide
CID 48736168
(2S)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122059827
1-[(2R)-2-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95345257

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 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) is 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1nn2cc(C)nc2s1.
What is the InChIKey of 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is DRYVXXNZHZLBMN-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-9-20-14(16-10)22-15(17-20)19-8-4-6-13(19)12-5-3-7-18(12)11(2)21/h9,12-13H,3-8H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 319.43 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 98761901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).