2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid

C18H22N2O5S — CID 119186959

IUPAC2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCCc2ncc(CC)s2)ccc1OCC(=O)O
InChIInChI=1S/C18H22N2O5S/c1-3-13-10-20-16(26-13)7-8-19-18(23)12-5-6-14(25-11-17(21)22)15(9-12)24-4-2/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyNGOFJOPEOGWRIE-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.54
Rot. Bonds10

About 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid (PubChem CID 119186959) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
PubChem CID119186959
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCCc2ncc(CC)s2)ccc1OCC(=O)O
InChIInChI=1S/C18H22N2O5S/c1-3-13-10-20-16(26-13)7-8-19-18(23)12-5-6-14(25-11-17(21)22)15(9-12)24-4-2/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyNGOFJOPEOGWRIE-UHFFFAOYSA-N
XLogP2.54
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119181430
2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119183061
2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119180117
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
2-[2-ethoxy-4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119182002
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
5-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685817
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46823944
3,4-diethoxy-N-[2-[(5-ethylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 46466415

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid (CID 119186959) is 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)NCCc2ncc(CC)s2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
The InChIKey is NGOFJOPEOGWRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-3-13-10-20-16(26-13)7-8-19-18(23)12-5-6-14(25-11-17(21)22)15(9-12)24-4-2/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid has a molecular weight of 378.45 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119186959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).