1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone

C9H13N3OS — CID 118359435

IUPAC1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1nnc(C)s1
InChIInChI=1S/C9H13N3OS/c1-6-10-11-9(14-6)8-4-3-5-12(8)7(2)13/h8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyNJZCSSGKERNFOH-QMMMGPOBSA-N
MW211.29 g/mol
LogP1.53
Rot. Bonds1

About 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 118359435) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID118359435
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1c1nnc(C)s1
InChIInChI=1S/C9H13N3OS/c1-6-10-11-9(14-6)8-4-3-5-12(8)7(2)13/h8H,3-5H2,1-2H3/t8-/m0/s1
InChIKeyNJZCSSGKERNFOH-QMMMGPOBSA-N
XLogP1.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 18682297
[2-(5-cyclononyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]-cyclooctylmethanone
CID 123189309
1-[(2S)-2-(5-methyl-1,3-oxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 118359439
tert-butyl 2-(5-amino-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate
CID 139893826
1-[2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidin-1-yl]ethanone
CID 102455284
1-[3-(1-acetylpyrrolidin-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 110262958
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
5-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 53072237
cyclohexyl-[(3R)-3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]methanone
CID 51896016
tert-butyl (2S)-2-(5-acetyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate;methane;5-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3,4-thiadiazole-2-carboxylic acid;sulfane;hydrate
CID 160925372
(2S)-2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxamide
CID 31259594
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone (CID 118359435) is 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1c1nnc(C)s1.
What is the InChIKey of 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is NJZCSSGKERNFOH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-10-11-9(14-6)8-4-3-5-12(8)7(2)13/h8H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 211.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118359435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).