2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid

C16H18N2O5S — CID 119255767

IUPAC2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid
SMILESCOCc1nc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cs1
InChIInChI=1S/C16H18N2O5S/c1-22-8-14-18-13(10-24-14)16(21)17-7-6-11-2-4-12(5-3-11)23-9-15(19)20/h2-5,10H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyOWWJEGVTYPWJAP-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.73
Rot. Bonds9

About 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid

2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid (PubChem CID 119255767) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid
PubChem CID119255767
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid
SMILESCOCc1nc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cs1
InChIInChI=1S/C16H18N2O5S/c1-22-8-14-18-13(10-24-14)16(21)17-7-6-11-2-4-12(5-3-11)23-9-15(19)20/h2-5,10H,6-9H2,1H3,(H,17,21)(H,19,20)
InChIKeyOWWJEGVTYPWJAP-UHFFFAOYSA-N
XLogP1.73
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 48579146
2-[4-[2-[[2-(methoxymethyl)benzoyl]amino]ethyl]phenoxy]acetic acid
CID 119255595
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
2-[4-[2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 120528974
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[(1,5-dimethylpyrazole-3-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255833
2-[4-[2-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119256010
2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 1032370
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-(2-aminoethyl)-N-[2-(4-methoxyphenoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 120618812
N-[2-(4-methoxyphenyl)ethyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90505960

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid (CID 119255767) is 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid is COCc1nc(C(=O)NCCc2ccc(OCC(=O)O)cc2)cs1.
What is the InChIKey of 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
The InChIKey is OWWJEGVTYPWJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-22-8-14-18-13(10-24-14)16(21)17-7-6-11-2-4-12(5-3-11)23-9-15(19)20/h2-5,10H,6-9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid has a molecular weight of 350.40 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).