(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid

C17H18N2O4S — CID 129415652

IUPAC(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2csc(CCc3ccccc3)n2)CCO1
InChIInChI=1S/C17H18N2O4S/c20-16(19-8-9-23-14(10-19)17(21)22)13-11-24-15(18-13)7-6-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2,(H,21,22)/t14-/m1/s1
InChIKeyRYNCJPVWPSGIKW-CQSZACIVSA-N
MW346.41 g/mol
LogP1.85
Rot. Bonds5

About (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid

(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 129415652) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID129415652
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2csc(CCc3ccccc3)n2)CCO1
InChIInChI=1S/C17H18N2O4S/c20-16(19-8-9-23-14(10-19)17(21)22)13-11-24-15(18-13)7-6-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2,(H,21,22)/t14-/m1/s1
InChIKeyRYNCJPVWPSGIKW-CQSZACIVSA-N
XLogP1.85
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 120526092
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
[3-(methylamino)piperidin-1-yl]-[2-(2-phenylethyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119490541
(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124610795
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
(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
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 94643513
(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide
CID 96784696
(2S)-4-(1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylic acid
CID 125148641
[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid (CID 129415652) is (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2csc(CCc3ccccc3)n2)CCO1.
What is the InChIKey of (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is RYNCJPVWPSGIKW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-16(19-8-9-23-14(10-19)17(21)22)13-11-24-15(18-13)7-6-12-4-2-1-3-5-12/h1-5,11,14H,6-10H2,(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 129415652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).