1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid

C12H18N2O2S — CID 106977692

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1nc(C)cs1
InChIInChI=1S/C12H18N2O2S/c1-3-5-12(10(15)16)6-4-7-14(12)11-13-9(2)8-17-11/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyZHYUAXFCNNGLQJ-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.68
Rot. Bonds4

About 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid

1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977692) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977692
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1c1nc(C)cs1
InChIInChI=1S/C12H18N2O2S/c1-3-5-12(10(15)16)6-4-7-14(12)11-13-9(2)8-17-11/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyZHYUAXFCNNGLQJ-UHFFFAOYSA-N
XLogP2.68
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83075986
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136959737
1-(4,6-dimethoxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977561
2-ethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83071303
2-propyl-1-quinoxalin-2-ylpyrrolidine-2-carboxylic acid
CID 106977590
1-(2-carbamoyl-4-pyridinyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977589
2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83071091
2-propyl-1-pyrido[2,3-b]pyrazin-6-ylpyrrolidine-2-carboxylic acid
CID 106977674
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246
1-(4-propan-2-yloxypyrimidin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977681
1-(6-propoxypyrazin-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977706
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977559

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977692) is 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1c1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is ZHYUAXFCNNGLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-5-12(10(15)16)6-4-7-14(12)11-13-9(2)8-17-11/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid?
1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).