2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C15H16FN5O2S — CID 95623626

IUPAC2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C15H16FN5O2S/c1-20(8-13(22)18-15-19-17-9-24-15)12-6-7-21(14(12)23)11-5-3-2-4-10(11)16/h2-5,9,12H,6-8H2,1H3,(H,18,19,22)/t12-/m0/s1
InChIKeyFXZNXMKDPGMSLR-LBPRGKRZSA-N
MW349.39 g/mol
LogP1.35
Rot. Bonds5

About 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 95623626) has the molecular formula C15H16FN5O2S and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID95623626
Molecular FormulaC15H16FN5O2S
Molecular Weight349.39 g/mol
Exact Mass349.10
IUPAC Name2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)[C@H]1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C15H16FN5O2S/c1-20(8-13(22)18-15-19-17-9-24-15)12-6-7-21(14(12)23)11-5-3-2-4-10(11)16/h2-5,9,12H,6-8H2,1H3,(H,18,19,22)/t12-/m0/s1
InChIKeyFXZNXMKDPGMSLR-LBPRGKRZSA-N
XLogP1.35
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
(3R)-1-(2-fluorophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pyrrolidin-2-one
CID 95623597
(3R)-1-(2-fluorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 95623647
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N,2-dimethylfuran-3-carboxamide
CID 96527113
2-[9H-fluoren-9-yl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 71980721
2-(aminomethyl)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1,3-thiazole-4-carboxamide
CID 129414917
methyl 4-[[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-1H-pyrrole-2-carboxylate
CID 97159507
3-(2-aminophenyl)-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylpropanamide
CID 120610765
5-[[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]methyl]-N-methylfuran-2-carboxamide
CID 75371035
4-[(carbamoylamino)methyl]-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbenzamide
CID 119129476
2-(2-fluorophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369711
(3R)-1-(2-fluorophenyl)-3-[methyl(3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 97316471

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 95623626) is 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CN(CC(=O)Nc1nncs1)[C@H]1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is FXZNXMKDPGMSLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16FN5O2S/c1-20(8-13(22)18-15-19-17-9-24-15)12-6-7-21(14(12)23)11-5-3-2-4-10(11)16/h2-5,9,12H,6-8H2,1H3,(H,18,19,22)/t12-/m0/s1.
What are the key properties of 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 349.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 95623626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).