methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate

C9H10N2O4S — CID 168694053

IUPACmethyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2=NC(=O)CS2)C1
InChIInChI=1S/C9H10N2O4S/c1-15-8(14)5-2-7(13)11(3-5)9-10-6(12)4-16-9/h5H,2-4H2,1H3
InChIKeyGSPSTYXVAVWNAR-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.36
Rot. Bonds1

About methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate

methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate (PubChem CID 168694053) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
PubChem CID168694053
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Namemethyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(C2=NC(=O)CS2)C1
InChIInChI=1S/C9H10N2O4S/c1-15-8(14)5-2-7(13)11(3-5)9-10-6(12)4-16-9/h5H,2-4H2,1H3
InChIKeyGSPSTYXVAVWNAR-UHFFFAOYSA-N
XLogP-0.36
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 1-(4,6-dichloro-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695406
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazol-4-one
CID 168660128
methyl 1-(4,6-diaminopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695409
methyl 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695521
methyl (3R)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate
CID 125424343
methyl 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693722
methyl 5-oxo-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-3-carboxylate
CID 168693018
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329
methyl 1-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693825
methyl 1-(6-bromo-2-methoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxylate
CID 168693487

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate (CID 168694053) is methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(C2=NC(=O)CS2)C1.
What is the InChIKey of methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is GSPSTYXVAVWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c1-15-8(14)5-2-7(13)11(3-5)9-10-6(12)4-16-9/h5H,2-4H2,1H3.
What are the key properties of methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 242.26 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(4-oxo-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 168694053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).