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2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C20H19ClN2O3S — CID 19173202

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3C)n2)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-25-16-7-4-14(5-8-16)17-12-27-20(22-17)23-19(24)11-26-18-9-6-15(21)10-13(18)2/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyGNMWUPMQOFQEAT-UHFFFAOYSA-N
MW402.90 g/mol
LogP5.19
Rot. Bonds7

About 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19173202) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19173202
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3C)n2)cc1
InChIInChI=1S/C20H19ClN2O3S/c1-3-25-16-7-4-14(5-8-16)17-12-27-20(22-17)23-19(24)11-26-18-9-6-15(21)10-13(18)2/h4-10,12H,3,11H2,1-2H3,(H,22,23,24)
InChIKeyGNMWUPMQOFQEAT-UHFFFAOYSA-N
XLogP5.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.90
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 19173202) is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3C)n2)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GNMWUPMQOFQEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-3-25-16-7-4-14(5-8-16)17-12-27-20(22-17)23-19(24)11-26-18-9-6-15(21)10-13(18)2/h4-10,12H,3,11H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 402.90 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19173202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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