(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid

C17H18N2O3S — CID 119371423

IUPAC(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3C(=O)O)cs2)cc1
InChIInChI=1S/C17H18N2O3S/c1-11-4-6-12(7-5-11)16-18-13(10-23-16)9-15(20)19-8-2-3-14(19)17(21)22/h4-7,10,14H,2-3,8-9H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyIXZWZSWAMUEQDC-CQSZACIVSA-N
MW330.41 g/mol
LogP2.74
Rot. Bonds4

About (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371423) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119371423
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3C(=O)O)cs2)cc1
InChIInChI=1S/C17H18N2O3S/c1-11-4-6-12(7-5-11)16-18-13(10-23-16)9-15(20)19-8-2-3-14(19)17(21)22/h4-7,10,14H,2-3,8-9H2,1H3,(H,21,22)/t14-/m1/s1
InChIKeyIXZWZSWAMUEQDC-CQSZACIVSA-N
XLogP2.74
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 56922956
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
(2R)-1-[2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119371873
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-(2-phenylpyrrolidin-1-yl)ethanone
CID 55495719
1-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119355602
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
(2S)-1-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-2-carboxylic acid
CID 129415522
1-[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119356217
N-cyclopropyl-1-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 78857638
(2R)-1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 79034814
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
N-cyclopropyl-1-[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxamide
CID 86927918

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid (CID 119371423) is (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid is Cc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3C(=O)O)cs2)cc1.
What is the InChIKey of (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IXZWZSWAMUEQDC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-4-6-12(7-5-11)16-18-13(10-23-16)9-15(20)19-8-2-3-14(19)17(21)22/h4-7,10,14H,2-3,8-9H2,1H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).