(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one

C8H12N4OS — CID 164633149

IUPAC(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCCc1nsc(N[C@@H]2CNC(=O)C2)n1
InChIInChI=1S/C8H12N4OS/c1-2-6-11-8(14-12-6)10-5-3-7(13)9-4-5/h5H,2-4H2,1H3,(H,9,13)(H,10,11,12)/t5-/m0/s1
InChIKeySSRFVPXFHRLZCY-YFKPBYRVSA-N
MW212.28 g/mol
LogP0.40
Rot. Bonds3

About (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one

(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (PubChem CID 164633149) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
PubChem CID164633149
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCCc1nsc(N[C@@H]2CNC(=O)C2)n1
InChIInChI=1S/C8H12N4OS/c1-2-6-11-8(14-12-6)10-5-3-7(13)9-4-5/h5H,2-4H2,1H3,(H,9,13)(H,10,11,12)/t5-/m0/s1
InChIKeySSRFVPXFHRLZCY-YFKPBYRVSA-N
XLogP0.40
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Cyclopropyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924181
1-Tert-butyl-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924183
1-Tert-butyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71976849
1-Tert-butyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 75376042
3-methyl-N-(3-(2-oxopyrrolidin-1-yl)propyl)-1,2,4-thiadiazole-5-carboxamide
CID 71807161
1-[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 71918740
1-Cyclopropyl-4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 71924182
1-Methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 91643484
(5S)-5-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-methylpiperidin-2-one
CID 96979437
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-1-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrolidin-2-one
CID 164635342

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one (CID 164633149) is (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is CCc1nsc(N[C@@H]2CNC(=O)C2)n1.
What is the InChIKey of (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
The InChIKey is SSRFVPXFHRLZCY-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-2-6-11-8(14-12-6)10-5-3-7(13)9-4-5/h5H,2-4H2,1H3,(H,9,13)(H,10,11,12)/t5-/m0/s1.
What are the key properties of (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one?
(4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one has a molecular weight of 212.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 164633149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).