N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C16H23N5O2S — CID 50957567

IUPACN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nn2cc(CCNC(=O)C3CC(=O)N(CC(C)C)C3)nc2s1
InChIInChI=1S/C16H23N5O2S/c1-10(2)7-20-8-12(6-14(20)22)15(23)17-5-4-13-9-21-16(18-13)24-11(3)19-21/h9-10,12H,4-8H2,1-3H3,(H,17,23)
InChIKeyWQFMTJIHWAAVDO-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 50957567) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID50957567
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC NameN-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1nn2cc(CCNC(=O)C3CC(=O)N(CC(C)C)C3)nc2s1
InChIInChI=1S/C16H23N5O2S/c1-10(2)7-20-8-12(6-14(20)22)15(23)17-5-4-13-9-21-16(18-13)24-11(3)19-21/h9-10,12H,4-8H2,1-3H3,(H,17,23)
InChIKeyWQFMTJIHWAAVDO-UHFFFAOYSA-N
XLogP1.26
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
1-(2-methylpropyl)-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 46109453
(3S)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95125789
(3R)-N-[2-[ethyl(methyl)amino]ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127297
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 36999930
(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125427
1-(2-methylpropyl)-5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 47025566
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110873512
1-(2-methylpropyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 113182044
6-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 43352899
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]morpholine-4-carboxamide
CID 110873517

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 50957567) is N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is Cc1nn2cc(CCNC(=O)C3CC(=O)N(CC(C)C)C3)nc2s1.
What is the InChIKey of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WQFMTJIHWAAVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-10(2)7-20-8-12(6-14(20)22)15(23)17-5-4-13-9-21-16(18-13)24-11(3)19-21/h9-10,12H,4-8H2,1-3H3,(H,17,23).
What are the key properties of N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50957567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).