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

C10H16N4OS — CID 133319687

IUPAC1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1nsc(NC(C)CN2CCCC2=O)n1
InChIInChI=1S/C10H16N4OS/c1-7(6-14-5-3-4-9(14)15)11-10-12-8(2)13-16-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyDBEHUEXOOCIDBA-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.27
Rot. Bonds4

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

1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 133319687) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one
PubChem CID133319687
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1nsc(NC(C)CN2CCCC2=O)n1
InChIInChI=1S/C10H16N4OS/c1-7(6-14-5-3-4-9(14)15)11-10-12-8(2)13-16-10/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyDBEHUEXOOCIDBA-UHFFFAOYSA-N
XLogP1.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxamide
CID 46993854
N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268030
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79033406
1-(3-methyl-2-sulfanylbutyl)pyrrolidin-2-one
CID 141416665
1-[(2S)-2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 129368237
2,4-dimethyl-5-[1-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]ethyl]-1H-pyrimidin-6-one
CID 135968751
1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
3-methyl-N-(4-methylsulfinylbutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 115715199
4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one
CID 56789091
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,4-thiadiazole-5-carboxamide
CID 71807161
1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]pyrrolidin-2-one
CID 64992946

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one (CID 133319687) is 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one is Cc1nsc(NC(C)CN2CCCC2=O)n1.
What is the InChIKey of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is DBEHUEXOOCIDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-7(6-14-5-3-4-9(14)15)11-10-12-8(2)13-16-10/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one?
1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 133319687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).