5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one

C8H11N3OS — CID 130592775

IUPAC5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one
SMILESCC1(Cc2csnn2)CCC(=O)N1
InChIInChI=1S/C8H11N3OS/c1-8(3-2-7(12)9-8)4-6-5-13-11-10-6/h5H,2-4H2,1H3,(H,9,12)
InChIKeyFONTZCNFMIWINY-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.75
Rot. Bonds2

About 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one

5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one (PubChem CID 130592775) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one
PubChem CID130592775
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one
SMILESCC1(Cc2csnn2)CCC(=O)N1
InChIInChI=1S/C8H11N3OS/c1-8(3-2-7(12)9-8)4-6-5-13-11-10-6/h5H,2-4H2,1H3,(H,9,12)
InChIKeyFONTZCNFMIWINY-UHFFFAOYSA-N
XLogP0.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-5-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 104687345
5-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrrolidin-2-one
CID 104687215
5-(aminomethyl)-5-methylpyrrolidin-2-one
CID 55290596
5-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 104687321
(5R)-5-(aminomethyl)-5-methylpyrrolidin-2-one;hydrochloride
CID 170901449
5-[[4-(difluoromethyl)phenyl]methyl]-5-methylpyrrolidin-2-one
CID 113441337
5-[(4-ethoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 104687288
5-(1,3-benzodioxol-5-ylmethyl)-5-methylpyrrolidin-2-one
CID 104687362
3-methyl-N-(thiadiazol-4-ylmethyl)azetidine-3-carboxamide
CID 130900473
5-[(1-ethylpyrrol-3-yl)methyl]-5-methylpyrrolidin-2-one
CID 104687361
5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 104687395
5-[(3-chlorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 104687299

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one (CID 130592775) is 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one is CC1(Cc2csnn2)CCC(=O)N1.
What is the InChIKey of 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is FONTZCNFMIWINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-8(3-2-7(12)9-8)4-6-5-13-11-10-6/h5H,2-4H2,1H3,(H,9,12).
What are the key properties of 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one?
5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 197.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(thiadiazol-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 130592775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).