2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid

C18H22N2O3S — CID 82032239

IUPAC2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1CN(Cc2cccc(-c3nc(CC(=O)O)cs3)c2)CC(C)O1
InChIInChI=1S/C18H22N2O3S/c1-12-8-20(9-13(2)23-12)10-14-4-3-5-15(6-14)18-19-16(11-24-18)7-17(21)22/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
InChIKeyVJHHUWLZTHXXTC-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.05
Rot. Bonds5

About 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid

2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 82032239) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
PubChem CID82032239
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
SMILESCC1CN(Cc2cccc(-c3nc(CC(=O)O)cs3)c2)CC(C)O1
InChIInChI=1S/C18H22N2O3S/c1-12-8-20(9-13(2)23-12)10-14-4-3-5-15(6-14)18-19-16(11-24-18)7-17(21)22/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
InChIKeyVJHHUWLZTHXXTC-UHFFFAOYSA-N
XLogP3.05
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-4-yl]acetic acid
CID 82032230
N-[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 97308491
N-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 100909648
2-[2-[3-(2-methylprop-2-enylsulfanylmethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 94805173
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080904
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080902
2-[2-[3-[[tert-butyl(ethyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159639
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 30199949
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 30199953
2-[2-[3-(prop-2-enylsulfanylmethyl)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 82178055
3-[4-[(2-methyl-1-oxa-4-azaspiro[5.5]undecan-4-yl)methyl]-1,3-thiazol-2-yl]benzoic acid
CID 136551451
1-(2,6-dimethylmorpholin-4-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 46514456

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid (CID 82032239) is 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid is CC1CN(Cc2cccc(-c3nc(CC(=O)O)cs3)c2)CC(C)O1.
What is the InChIKey of 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is VJHHUWLZTHXXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12-8-20(9-13(2)23-12)10-14-4-3-5-15(6-14)18-19-16(11-24-18)7-17(21)22/h3-6,11-13H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 346.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 82032239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).