1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid

C16H16N2O4S — CID 119355418

IUPAC1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)N3CCCC3C(=O)O)s2)cc1
InChIInChI=1S/C16H16N2O4S/c1-22-11-6-4-10(5-7-11)14-17-9-13(23-14)15(19)18-8-2-3-12(18)16(20)21/h4-7,9,12H,2-3,8H2,1H3,(H,20,21)
InChIKeyFDCJWNOXXBFLPM-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.51
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid

1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355418) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID119355418
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccc(-c2ncc(C(=O)N3CCCC3C(=O)O)s2)cc1
InChIInChI=1S/C16H16N2O4S/c1-22-11-6-4-10(5-7-11)14-17-9-13(23-14)15(19)18-8-2-3-12(18)16(20)21/h4-7,9,12H,2-3,8H2,1H3,(H,20,21)
InChIKeyFDCJWNOXXBFLPM-UHFFFAOYSA-N
XLogP2.51
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid
CID 124691573
(3-aminopiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 119380053
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491471
1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355909
(2R)-1-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370974
2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]thiomorpholin-3-yl]acetic acid
CID 119210977
(2S)-1-(2-thiophen-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 125148770
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545366
[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 71994882
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 120816382
(2S)-1-(2-benzyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 125148041
(2R,3R)-2-methyl-1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116408

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid (CID 119355418) is 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid is COc1ccc(-c2ncc(C(=O)N3CCCC3C(=O)O)s2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FDCJWNOXXBFLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-22-11-6-4-10(5-7-11)14-17-9-13(23-14)15(19)18-8-2-3-12(18)16(20)21/h4-7,9,12H,2-3,8H2,1H3,(H,20,21).
What are the key properties of 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid?
1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).