methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate

C14H20N2O3S — CID 168693012

IUPACmethyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2csc(C(C)C)n2)C1
InChIInChI=1S/C14H20N2O3S/c1-9(2)13-15-11(8-20-13)4-5-16-7-10(6-12(16)17)14(18)19-3/h8-10H,4-7H2,1-3H3
InChIKeyWWZQDSZQERJHKB-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.83
Rot. Bonds5

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

methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate (PubChem CID 168693012) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate
PubChem CID168693012
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namemethyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(CCc2csc(C(C)C)n2)C1
InChIInChI=1S/C14H20N2O3S/c1-9(2)13-15-11(8-20-13)4-5-16-7-10(6-12(16)17)14(18)19-3/h8-10H,4-7H2,1-3H3
InChIKeyWWZQDSZQERJHKB-UHFFFAOYSA-N
XLogP1.83
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 50959352
methyl 1-[2-(1,3-benzothiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694225
methyl 1-(2-naphthalen-2-ylethyl)-5-oxopyrrolidine-3-carboxylate
CID 168694190
methyl 1-[2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693211
(3R)-1-cyclopentyl-5-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 97119490
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
methyl 1-[2-(1-benzothiophen-2-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168694189
methyl 5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylate
CID 168694195
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693497
methyl 1-[2-(3-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693910
methyl 1-[2-[3-ethyl-5-[2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)ethyl]cyclohexyl]ethyl]-5-oxopyrrolidine-3-carboxylate
CID 139513691

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate (CID 168693012) is methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(CCc2csc(C(C)C)n2)C1.
What is the InChIKey of methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate?
The InChIKey is WWZQDSZQERJHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(2)13-15-11(8-20-13)4-5-16-7-10(6-12(16)17)14(18)19-3/h8-10H,4-7H2,1-3H3.
What are the key properties of methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate?
methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 168693012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).