3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C11H12N4O4S — CID 100727021

IUPAC3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1nnsc1C(=O)N1CC[C@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C11H12N4O4S/c1-6-9(20-13-12-6)10(17)14-3-2-7(4-14)15-8(16)5-19-11(15)18/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeyZFGDLOPHOZHRDX-ZETCQYMHSA-N
MW296.31 g/mol
LogP0.04
Rot. Bonds2

About 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100727021) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100727021
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1nnsc1C(=O)N1CC[C@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C11H12N4O4S/c1-6-9(20-13-12-6)10(17)14-3-2-7(4-14)15-8(16)5-19-11(15)18/h7H,2-5H2,1H3/t7-/m0/s1
InChIKeyZFGDLOPHOZHRDX-ZETCQYMHSA-N
XLogP0.04
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100727021) is 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is Cc1nnsc1C(=O)N1CC[C@H](N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is ZFGDLOPHOZHRDX-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-6-9(20-13-12-6)10(17)14-3-2-7(4-14)15-8(16)5-19-11(15)18/h7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 296.31 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100727021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).