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

C16H16N2O4S — CID 124610795

IUPAC(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)CCO1
InChIInChI=1S/C16H16N2O4S/c19-15(18-6-7-22-12(10-18)16(20)21)13-9-17-14(23-13)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,20,21)/t12-/m1/s1
InChIKeyQXJXGXBIOMPDIC-GFCCVEGCSA-N
MW332.38 g/mol
LogP1.66
Rot. Bonds4

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

(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid (PubChem CID 124610795) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is (2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
PubChem CID124610795
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)CCO1
InChIInChI=1S/C16H16N2O4S/c19-15(18-6-7-22-12(10-18)16(20)21)13-9-17-14(23-13)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,20,21)/t12-/m1/s1
InChIKeyQXJXGXBIOMPDIC-GFCCVEGCSA-N
XLogP1.66
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(2-methyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129397501
4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid
CID 119239535
(3R)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 125147777
(2S)-1-(2-benzyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 125148041
(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415652
(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129415214
4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526092
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
4-(1-phenyl-1,2,4-triazole-3-carbonyl)morpholine-2-carboxylic acid
CID 120526060
(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 95167865
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124611845
[(3R)-3-aminopiperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methanone
CID 124593980

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid (CID 124610795) is (2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2cnc(Cc3ccccc3)s2)CCO1.
What is the InChIKey of (2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is QXJXGXBIOMPDIC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-15(18-6-7-22-12(10-18)16(20)21)13-9-17-14(23-13)8-11-4-2-1-3-5-11/h1-5,9,12H,6-8,10H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid?
(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 332.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 124610795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).