N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide

C19H17ClN2O3S — CID 19196538

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C19H17ClN2O3S/c1-2-24-16-9-5-6-10-17(16)25-11-18(23)22-19-21-15(12-26-19)13-7-3-4-8-14(13)20/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyRCRRUGBYYOGIDU-UHFFFAOYSA-N
MW388.88 g/mol
LogP4.88
Rot. Bonds7

About N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 19196538) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
PubChem CID19196538
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C19H17ClN2O3S/c1-2-24-16-9-5-6-10-17(16)25-11-18(23)22-19-21-15(12-26-19)13-7-3-4-8-14(13)20/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChIKeyRCRRUGBYYOGIDU-UHFFFAOYSA-N
XLogP4.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide (CID 19196538) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is RCRRUGBYYOGIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-2-24-16-9-5-6-10-17(16)25-11-18(23)22-19-21-15(12-26-19)13-7-3-4-8-14(13)20/h3-10,12H,2,11H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 388.88 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 19196538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).