(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid

C16H16N2O4S — CID 129415214

IUPAC(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C16H16N2O4S/c1-10-13(23-14(17-10)11-5-3-2-4-6-11)15(19)18-7-8-22-12(9-18)16(20)21/h2-6,12H,7-9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyIJMRLVXZMITCIV-GFCCVEGCSA-N
MW332.38 g/mol
LogP2.04
Rot. Bonds3

About (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid

(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid (PubChem CID 129415214) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
PubChem CID129415214
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCO[C@@H](C(=O)O)C1
InChIInChI=1S/C16H16N2O4S/c1-10-13(23-14(17-10)11-5-3-2-4-6-11)15(19)18-7-8-22-12(9-18)16(20)21/h2-6,12H,7-9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyIJMRLVXZMITCIV-GFCCVEGCSA-N
XLogP2.04
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110309752
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119539054
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110308244
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
cyclopentyl-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 38391292
4-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 119250782
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190
4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239890
(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 41247494

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid (CID 129415214) is (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid is Cc1nc(-c2ccccc2)sc1C(=O)N1CCO[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is IJMRLVXZMITCIV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-13(23-14(17-10)11-5-3-2-4-6-11)15(19)18-7-8-22-12(9-18)16(20)21/h2-6,12H,7-9H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 129415214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).