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

C16H20N4OS — CID 133337113

IUPAC3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESCc1nsc(NC2CCN(CCCc3ccccc3)C2=O)n1
InChIInChI=1S/C16H20N4OS/c1-12-17-16(22-19-12)18-14-9-11-20(15(14)21)10-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,17,18,19)
InChIKeyYJWVNHMADKHHEM-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.49
Rot. Bonds6

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

3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one (PubChem CID 133337113) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
PubChem CID133337113
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
SMILESCc1nsc(NC2CCN(CCCc3ccccc3)C2=O)n1
InChIInChI=1S/C16H20N4OS/c1-12-17-16(22-19-12)18-14-9-11-20(15(14)21)10-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,17,18,19)
InChIKeyYJWVNHMADKHHEM-UHFFFAOYSA-N
XLogP2.49
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-methyl-2-pyridinyl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133483895
3-[(3-methylquinoxalin-2-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 133337054
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 133322183
1-(3-phenylpropyl)-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133418807
5-[[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]amino]pyrazine-2-carbonitrile
CID 133485643
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133337105
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
3-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one
CID 84598997
1-(1-cyclohexyl-2-oxopiperidin-3-yl)-3-[2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]urea
CID 166232757
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133316261
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
(3R)-3-amino-1-(2-phenylethyl)pyrrolidin-2-one
CID 11096743

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The IUPAC name of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one (CID 133337113) is 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one is Cc1nsc(NC2CCN(CCCc3ccccc3)C2=O)n1.
What is the InChIKey of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
The InChIKey is YJWVNHMADKHHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-17-16(22-19-12)18-14-9-11-20(15(14)21)10-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,17,18,19).
What are the key properties of 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one?
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one has a molecular weight of 316.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-1-(3-phenylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 133337113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).