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

C15H17N7O2S — CID 129328981

IUPACN-cyclopropyl-5-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1cn2nc(N3CCC[C@H]3c3nc(C(=O)NC4CC4)no3)sc2n1
InChIInChI=1S/C15H17N7O2S/c1-8-7-22-14(16-8)25-15(19-22)21-6-2-3-10(21)13-18-11(20-24-13)12(23)17-9-4-5-9/h7,9-10H,2-6H2,1H3,(H,17,23)/t10-/m0/s1
InChIKeyCXLPKDVSPMOVPO-JTQLQIEISA-N
MW359.42 g/mol
LogP1.72
Rot. Bonds4

About 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

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 (PubChem CID 129328981) has the molecular formula C15H17N7O2S and a molecular weight of 359.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID129328981
Molecular FormulaC15H17N7O2S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC NameN-cyclopropyl-5-[(2S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
SMILESCc1cn2nc(N3CCC[C@H]3c3nc(C(=O)NC4CC4)no3)sc2n1
InChIInChI=1S/C15H17N7O2S/c1-8-7-22-14(16-8)25-15(19-22)21-6-2-3-10(21)13-18-11(20-24-13)12(23)17-9-4-5-9/h7,9-10H,2-6H2,1H3,(H,17,23)/t10-/m0/s1
InChIKeyCXLPKDVSPMOVPO-JTQLQIEISA-N
XLogP1.72
TPSA101.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-cyclopropyl-5-[(2R)-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129337634
N-cyclopropyl-5-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129328356
N-cyclopropyl-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 47279938
N-cyclopropyl-5-[(2S)-1-(8-methylquinazolin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129337947
5-[1-(3-chloro-5-cyano-2-pyridinyl)pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 128999473
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129334901
N-cyclopropyl-5-[1-(2-hydroxyethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129001579
N-cyclopropyl-5-[(2S)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344538
N-cyclopropyl-5-[(2R)-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129344537
5-[(2R)-1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 129335596
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
N-cyclopropyl-5-[(2R)-1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 129339660

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn2nc(N3CCC[C@H]3c3nc(C(=O)NC4CC4)no3)sc2n1.
What is the InChIKey of 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?
The InChIKey is CXLPKDVSPMOVPO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N7O2S/c1-8-7-22-14(16-8)25-15(19-22)21-6-2-3-10(21)13-18-11(20-24-13)12(23)17-9-4-5-9/h7,9-10H,2-6H2,1H3,(H,17,23)/t10-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 359.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129328981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).