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

C13H14N4OS — CID 99846965

IUPAC(4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one
SMILESCc1nsc(N[C@H]2CC(=O)N(c3ccccc3)C2)n1
InChIInChI=1S/C13H14N4OS/c1-9-14-13(19-16-9)15-10-7-12(18)17(8-10)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyWVPXHRMKFCCZJE-JTQLQIEISA-N
MW274.35 g/mol
LogP2.06
Rot. Bonds3

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

(4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one (PubChem CID 99846965) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is (4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one
PubChem CID99846965
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name(4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one
SMILESCc1nsc(N[C@H]2CC(=O)N(c3ccccc3)C2)n1
InChIInChI=1S/C13H14N4OS/c1-9-14-13(19-16-9)15-10-7-12(18)17(8-10)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,14,15,16)/t10-/m0/s1
InChIKeyWVPXHRMKFCCZJE-JTQLQIEISA-N
XLogP2.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
methyl 4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]benzoate
CID 70498190
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119305747
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
1-(4-methylphenyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969282
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
2-(4-methoxyphenoxy)-N-(5-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 16822099
2-amino-4-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3-benzothiazole-6-carboxamide
CID 72904842
5-(5-methylthiophen-2-yl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96572585
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
2-(3-methylphenyl)-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]acetamide
CID 7254986
1-ethyl-2-[(6-methyl-2-pyridinyl)methyl]-3-(5-oxo-1-phenylpyrrolidin-3-yl)guanidine
CID 111913471

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one (CID 99846965) is (4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one is Cc1nsc(N[C@H]2CC(=O)N(c3ccccc3)C2)n1.
What is the InChIKey of (4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one?
The InChIKey is WVPXHRMKFCCZJE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N4OS/c1-9-14-13(19-16-9)15-10-7-12(18)17(8-10)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,14,15,16)/t10-/m0/s1.
What are the key properties of (4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one?
(4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one has a molecular weight of 274.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 99846965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).