1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C11H14N2O3S — CID 168691126

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1nc(C)c(CN2CC(C(=O)O)CC2=O)s1
InChIInChI=1S/C11H14N2O3S/c1-6-9(17-7(2)12-6)5-13-4-8(11(15)16)3-10(13)14/h8H,3-5H2,1-2H3,(H,15,16)
InChIKeyZOUKRPACGHCDEL-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.19
Rot. Bonds3

About 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691126) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691126
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCc1nc(C)c(CN2CC(C(=O)O)CC2=O)s1
InChIInChI=1S/C11H14N2O3S/c1-6-9(17-7(2)12-6)5-13-4-8(11(15)16)3-10(13)14/h8H,3-5H2,1-2H3,(H,15,16)
InChIKeyZOUKRPACGHCDEL-UHFFFAOYSA-N
XLogP1.19
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-one
CID 168688221
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708979
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83193193
(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95138021
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83193343
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192523
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106033262
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192816
(3S)-1-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95129544
1-[(3-fluoro-5-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691160
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 155503880

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168691126) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is Cc1nc(C)c(CN2CC(C(=O)O)CC2=O)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is ZOUKRPACGHCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-6-9(17-7(2)12-6)5-13-4-8(11(15)16)3-10(13)14/h8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).