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

C16H15ClN2O4S — CID 124704017

IUPAC(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCO1
InChIInChI=1S/C16H15ClN2O4S/c17-12-4-2-1-3-11(12)15-18-10(9-24-15)7-14(20)19-5-6-23-13(8-19)16(21)22/h1-4,9,13H,5-8H2,(H,21,22)/t13-/m1/s1
InChIKeyRHEBPIZCLORIGQ-CYBMUJFWSA-N
MW366.83 g/mol
LogP2.32
Rot. Bonds4

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

(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid (PubChem CID 124704017) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is (2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
PubChem CID124704017
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCO1
InChIInChI=1S/C16H15ClN2O4S/c17-12-4-2-1-3-11(12)15-18-10(9-24-15)7-14(20)19-5-6-23-13(8-19)16(21)22/h1-4,9,13H,5-8H2,(H,21,22)/t13-/m1/s1
InChIKeyRHEBPIZCLORIGQ-CYBMUJFWSA-N
XLogP2.32
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704011
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethanone;dihydrochloride
CID 119411051
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125133146
(3R,4R)-1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978191
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 124575158
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 134020651
(3S)-1-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 29136132
1-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 42652441
(2S)-4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-N-phenylmorpholine-2-carboxamide
CID 92633198
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(piperidine-1-carbonyl)morpholin-4-yl]ethanone
CID 92632934
(3S)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 29136377
(2R)-4-[5-(2-chlorophenyl)-1,3-oxazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415634

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid (CID 124704017) is (2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CCO1.
What is the InChIKey of (2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid?
The InChIKey is RHEBPIZCLORIGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15ClN2O4S/c17-12-4-2-1-3-11(12)15-18-10(9-24-15)7-14(20)19-5-6-23-13(8-19)16(21)22/h1-4,9,13H,5-8H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid?
(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid has a molecular weight of 366.83 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124704017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).