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

C19H24N2O5S — CID 119183061

IUPAC2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCCc2csc(C(C)C)n2)ccc1OCC(=O)O
InChIInChI=1S/C19H24N2O5S/c1-4-25-16-9-13(5-6-15(16)26-10-17(22)23)18(24)20-8-7-14-11-27-19(21-14)12(2)3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyWJWSWWKYEOJFJO-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.10
Rot. Bonds10

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

2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid (PubChem CID 119183061) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
PubChem CID119183061
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCCc2csc(C(C)C)n2)ccc1OCC(=O)O
InChIInChI=1S/C19H24N2O5S/c1-4-25-16-9-13(5-6-15(16)26-10-17(22)23)18(24)20-8-7-14-11-27-19(21-14)12(2)3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,20,24)(H,22,23)
InChIKeyWJWSWWKYEOJFJO-UHFFFAOYSA-N
XLogP3.10
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2-ethoxy-4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119186959
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
3,4-diethoxy-N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518505
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119181430
4-hydroxy-3-nitro-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 75452335
5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 118770282
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide
CID 169411645
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid (CID 119183061) is 2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)NCCc2csc(C(C)C)n2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid?
The InChIKey is WJWSWWKYEOJFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-4-25-16-9-13(5-6-15(16)26-10-17(22)23)18(24)20-8-7-14-11-27-19(21-14)12(2)3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,20,24)(H,22,23).
What are the key properties of 2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid has a molecular weight of 392.48 g/mol, XLogP of 3.10, 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-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119183061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).