4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

C12H16N2O3S — CID 104511155

IUPAC4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC(C)C1CC(=O)N(Cc2csc(C(=O)O)n2)C1
InChIInChI=1S/C12H16N2O3S/c1-7(2)8-3-10(15)14(4-8)5-9-6-18-11(13-9)12(16)17/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeySHZHZPGERKNZEV-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.85
Rot. Bonds4

About 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 104511155) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID104511155
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
SMILESCC(C)C1CC(=O)N(Cc2csc(C(=O)O)n2)C1
InChIInChI=1S/C12H16N2O3S/c1-7(2)8-3-10(15)14(4-8)5-9-6-18-11(13-9)12(16)17/h6-8H,3-5H2,1-2H3,(H,16,17)
InChIKeySHZHZPGERKNZEV-UHFFFAOYSA-N
XLogP1.85
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 104511152
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 130547609
4-[(4-butan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 62773649
4-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 65301708
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512303
1-[(6-hydrazinyl-2-pyridinyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512787
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
1-[[6-(ethylamino)-2-pyridinyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512703
4-[(3-methoxypyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 103535120
(4R)-4-(2-methylpropyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-one
CID 97273176

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid (CID 104511155) is 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid is CC(C)C1CC(=O)N(Cc2csc(C(=O)O)n2)C1.
What is the InChIKey of 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is SHZHZPGERKNZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-7(2)8-3-10(15)14(4-8)5-9-6-18-11(13-9)12(16)17/h6-8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 268.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 104511155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).