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

C18H14Cl2N2O2S — CID 16547898

IUPAC2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1Cl
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-8-12(6-7-14(11)19)24-9-17(23)22-18-21-16(10-25-18)13-4-2-3-5-15(13)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyCNOXYQZHSGUQSK-UHFFFAOYSA-N
MW393.30 g/mol
LogP5.44
Rot. Bonds5

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

2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 16547898) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID16547898
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1Cl
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-8-12(6-7-14(11)19)24-9-17(23)22-18-21-16(10-25-18)13-4-2-3-5-15(13)20/h2-8,10H,9H2,1H3,(H,21,22,23)
InChIKeyCNOXYQZHSGUQSK-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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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924827
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)acetamide
CID 2428133
2-(4-chloro-3-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918628
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066
2-(2-tert-butyl-4-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196678
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 39218983
2-(4-methoxyphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7924821

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 16547898) is 2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide is Cc1cc(OCC(=O)Nc2nc(-c3ccccc3Cl)cs2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CNOXYQZHSGUQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-11-8-12(6-7-14(11)19)24-9-17(23)22-18-21-16(10-25-18)13-4-2-3-5-15(13)20/h2-8,10H,9H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[4-(2-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-3-methylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 16547898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).