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

C16H16N2O4S — CID 125150119

IUPAC(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C16H16N2O4S/c1-10-13(23-14(17-10)11-5-3-2-4-6-11)15(19)18-7-8-22-9-12(18)16(20)21/h2-6,12H,7-9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyBUMYNJOZSZUAJL-GFCCVEGCSA-N
MW332.38 g/mol
LogP2.04
Rot. Bonds3

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

(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid (PubChem CID 125150119) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
PubChem CID125150119
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C16H16N2O4S/c1-10-13(23-14(17-10)11-5-3-2-4-6-11)15(19)18-7-8-22-9-12(18)16(20)21/h2-6,12H,7-9H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyBUMYNJOZSZUAJL-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
(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110309752
(3S)-4-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125150261
(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125152105
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663
(3S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513715
(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129415214
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
(3R)-4-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119514
(3S)-4-[4-(4-methyl-1,3-thiazol-2-yl)benzoyl]morpholine-3-carboxylic acid
CID 125153602
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035619
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid (CID 125150119) is (3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid is Cc1nc(-c2ccccc2)sc1C(=O)N1CCOC[C@@H]1C(=O)O.
What is the InChIKey of (3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is BUMYNJOZSZUAJL-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)18-7-8-22-9-12(18)16(20)21/h2-6,12H,7-9H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of (3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid?
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-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 (3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 125150119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).