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

C16H15ClN2O4S — CID 125133146

IUPAC(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H15ClN2O4S/c17-12-4-2-1-3-11(12)15-18-10(9-24-15)7-14(20)19-5-6-23-8-13(19)16(21)22/h1-4,9,13H,5-8H2,(H,21,22)/t13-/m1/s1
InChIKeyFUEWXTRJHCCHII-CYBMUJFWSA-N
MW366.83 g/mol
LogP2.32
Rot. Bonds4

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

(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid (PubChem CID 125133146) has the molecular formula C16H15ClN2O4S and a molecular weight of 366.83 g/mol. Its IUPAC name is (3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
PubChem CID125133146
Molecular FormulaC16H15ClN2O4S
Molecular Weight366.83 g/mol
Exact Mass366.04
IUPAC Name(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C16H15ClN2O4S/c17-12-4-2-1-3-11(12)15-18-10(9-24-15)7-14(20)19-5-6-23-8-13(19)16(21)22/h1-4,9,13H,5-8H2,(H,21,22)/t13-/m1/s1
InChIKeyFUEWXTRJHCCHII-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

(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089
(2R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704017
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125153686
(3R)-4-[2-[2-[(1S)-1-ethoxyethyl]-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125152734
4-[2-(2-phenyl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216474
1-[2-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119356217
1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 119175967
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125119411
4-(2-naphthalen-1-ylacetyl)morpholine-3-carboxylic acid
CID 119216821
4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholine-3-carboxylic acid
CID 119216735
(3R)-4-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 125119510
(3S)-4-[3-(2-chlorophenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513402

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid (CID 125133146) is (3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of (3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid?
The InChIKey is FUEWXTRJHCCHII-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)19-5-6-23-8-13(19)16(21)22/h1-4,9,13H,5-8H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid?
(3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-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 (3R)-4-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125133146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).