2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid

C18H20N2O6S — CID 125120187

IUPAC2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid
SMILESCOc1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)ccc1OCc1cscn1
InChIInChI=1S/C18H20N2O6S/c1-24-16-6-12(2-3-15(16)26-9-13-10-27-11-19-13)18(23)20-4-5-25-14(8-20)7-17(21)22/h2-3,6,10-11,14H,4-5,7-9H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyNMWPMPZMEVRXEU-AWEZNQCLSA-N
MW392.43 g/mol
LogP2.05
Rot. Bonds7

About 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid (PubChem CID 125120187) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid
PubChem CID125120187
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid
SMILESCOc1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)ccc1OCc1cscn1
InChIInChI=1S/C18H20N2O6S/c1-24-16-6-12(2-3-15(16)26-9-13-10-27-11-19-13)18(23)20-4-5-25-14(8-20)7-17(21)22/h2-3,6,10-11,14H,4-5,7-9H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyNMWPMPZMEVRXEU-AWEZNQCLSA-N
XLogP2.05
TPSA98.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
1,4-diazepan-1-yl-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119418599
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 120813913
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 119469673
2-[4-(4-methoxypyridine-2-carbonyl)morpholin-2-yl]acetic acid
CID 136536333
[2-(aminomethyl)piperidin-1-yl]-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119469672
[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 39696938
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid (CID 125120187) is 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid is COc1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)ccc1OCc1cscn1.
What is the InChIKey of 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid?
The InChIKey is NMWPMPZMEVRXEU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-24-16-6-12(2-3-15(16)26-9-13-10-27-11-19-13)18(23)20-4-5-25-14(8-20)7-17(21)22/h2-3,6,10-11,14H,4-5,7-9H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid has a molecular weight of 392.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125120187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).