4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid

C17H18N2O4S — CID 120526092

IUPAC4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESCc1ccc(Cc2nc(C(=O)N3CCOC(C(=O)O)C3)cs2)cc1
InChIInChI=1S/C17H18N2O4S/c1-11-2-4-12(5-3-11)8-15-18-13(10-24-15)16(20)19-6-7-23-14(9-19)17(21)22/h2-5,10,14H,6-9H2,1H3,(H,21,22)
InChIKeyHRSRZUIDZIOPEG-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.97
Rot. Bonds4

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

4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 120526092) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID120526092
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
SMILESCc1ccc(Cc2nc(C(=O)N3CCOC(C(=O)O)C3)cs2)cc1
InChIInChI=1S/C17H18N2O4S/c1-11-2-4-12(5-3-11)8-15-18-13(10-24-15)16(20)19-6-7-23-14(9-19)17(21)22/h2-5,10,14H,6-9H2,1H3,(H,21,22)
InChIKeyHRSRZUIDZIOPEG-UHFFFAOYSA-N
XLogP1.97
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415652
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919
[(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
(2R)-4-(2-benzyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 124610795
[(3R)-3-aminopyrrolidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119410019
4-[4-(4-methylphenyl)butanoyl]morpholine-2-carboxylic acid
CID 119238769
(2R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 129415214
3-[1-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]piperidin-2-yl]propanoic acid
CID 120536762
(2-benzyl-1,3-thiazol-4-yl)-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 133115875
[3-(1-aminoethyl)piperidin-1-yl]-(2-benzyl-1,3-thiazol-4-yl)methanone
CID 119593496
4-(6-methyl-1H-indole-2-carbonyl)morpholine-2-carboxylic acid
CID 119238946
[(3R)-1-(2-benzyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 42154386

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid (CID 120526092) is 4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid is Cc1ccc(Cc2nc(C(=O)N3CCOC(C(=O)O)C3)cs2)cc1.
What is the InChIKey of 4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is HRSRZUIDZIOPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-2-4-12(5-3-11)8-15-18-13(10-24-15)16(20)19-6-7-23-14(9-19)17(21)22/h2-5,10,14H,6-9H2,1H3,(H,21,22).
What are the key properties of 4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid?
4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 346.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 120526092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).