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

C18H14Cl2N2O2S — CID 2295689

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-8-14(20)6-7-16(11)24-9-17(23)22-18-21-15(10-25-18)12-2-4-13(19)5-3-12/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyLAAREVUJDJHRJF-UHFFFAOYSA-N
MW393.30 g/mol
LogP5.44
Rot. Bonds5

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

2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2295689) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2295689
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-8-14(20)6-7-16(11)24-9-17(23)22-18-21-15(10-25-18)12-2-4-13(19)5-3-12/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyLAAREVUJDJHRJF-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.30
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 2295689) is 2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LAAREVUJDJHRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-11-8-14(20)6-7-16(11)24-9-17(23)22-18-21-15(10-25-18)12-2-4-13(19)5-3-12/h2-8,10H,9H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 393.30 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2295689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).