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

C13H12N2O3S2 — CID 168695379

IUPACmethyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2nc(-c3cccs3)cs2)C1
InChIInChI=1S/C13H12N2O3S2/c1-18-12(17)8-5-11(16)15(6-8)13-14-9(7-20-13)10-3-2-4-19-10/h2-4,7-8H,5-6H2,1H3
InChIKeyVFANPHSIBYWMFM-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.40
Rot. Bonds3

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

methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate (PubChem CID 168695379) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
PubChem CID168695379
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC Namemethyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2nc(-c3cccs3)cs2)C1
InChIInChI=1S/C13H12N2O3S2/c1-18-12(17)8-5-11(16)15(6-8)13-14-9(7-20-13)10-3-2-4-19-10/h2-4,7-8H,5-6H2,1H3
InChIKeyVFANPHSIBYWMFM-UHFFFAOYSA-N
XLogP2.40
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 168698501
4-(sulfanylmethyl)-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 168672273
(2-oxo-2-thiophen-2-ylethyl) (3R)-1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 9498428
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 1-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168693825
[2-(4-methoxyphenyl)-2-oxoethyl] 1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylate
CID 4252875
1-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168692312
methyl 1-(4,6-diaminopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695409
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 41136120
methyl (3S)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate
CID 6932471
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 758329

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate (CID 168695379) is methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2nc(-c3cccs3)cs2)C1.
What is the InChIKey of methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate?
The InChIKey is VFANPHSIBYWMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c1-18-12(17)8-5-11(16)15(6-8)13-14-9(7-20-13)10-3-2-4-19-10/h2-4,7-8H,5-6H2,1H3.
What are the key properties of methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate?
methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 168695379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).