2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid

C17H18N2O5S — CID 126789660

IUPAC2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESCOc1ccccc1-c1nc(C(=O)N2CCOC(CC(=O)O)C2)cs1
InChIInChI=1S/C17H18N2O5S/c1-23-14-5-3-2-4-12(14)16-18-13(10-25-16)17(22)19-6-7-24-11(9-19)8-15(20)21/h2-5,10-11H,6-9H2,1H3,(H,20,21)
InChIKeyQGSCAXPTAZPSQJ-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.13
Rot. Bonds5

About 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid

2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 126789660) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
PubChem CID126789660
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
SMILESCOc1ccccc1-c1nc(C(=O)N2CCOC(CC(=O)O)C2)cs1
InChIInChI=1S/C17H18N2O5S/c1-23-14-5-3-2-4-12(14)16-18-13(10-25-16)17(22)19-6-7-24-11(9-19)8-15(20)21/h2-5,10-11H,6-9H2,1H3,(H,20,21)
InChIKeyQGSCAXPTAZPSQJ-UHFFFAOYSA-N
XLogP2.13
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248241
3-[(3S)-1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688636
1-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154743864
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577837
2-[4-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527742
2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
(4-cyclopropyl-1,4-diazepan-1-yl)-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 49074984
2-[(2R)-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125151527
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid (CID 126789660) is 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid is COc1ccccc1-c1nc(C(=O)N2CCOC(CC(=O)O)C2)cs1.
What is the InChIKey of 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is QGSCAXPTAZPSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-23-14-5-3-2-4-12(14)16-18-13(10-25-16)17(22)19-6-7-24-11(9-19)8-15(20)21/h2-5,10-11H,6-9H2,1H3,(H,20,21).
What are the key properties of 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 362.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 126789660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).