2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

C18H14Cl2N2O2S — CID 19196435

IUPAC2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-17(12-3-2-4-14(20)9-12)22-18(25-11)21-16(23)10-24-15-7-5-13(19)6-8-15/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyCVNAUWCIUCQKPZ-UHFFFAOYSA-N
MW393.30 g/mol
LogP5.44
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide

2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 19196435) has the molecular formula C18H14Cl2N2O2S and a molecular weight of 393.30 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID19196435
Molecular FormulaC18H14Cl2N2O2S
Molecular Weight393.30 g/mol
Exact Mass392.02
IUPAC Name2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1cccc(Cl)c1
InChIInChI=1S/C18H14Cl2N2O2S/c1-11-17(12-3-2-4-14(20)9-12)22-18(25-11)21-16(23)10-24-15-7-5-13(19)6-8-15/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyCVNAUWCIUCQKPZ-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

N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196756
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197427
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2541899
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 19194860
(3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 27519165
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
2-(3-ethylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19178906
2-(2-bromophenoxy)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196888
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 9094307
2-(4-chlorophenoxy)-N-[4-[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 1458733
2-(3-bromophenoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19218039

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 19196435) is 2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)COc2ccc(Cl)cc2)nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is CVNAUWCIUCQKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S/c1-11-17(12-3-2-4-14(20)9-12)22-18(25-11)21-16(23)10-24-15-7-5-13(19)6-8-15/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-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-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19196435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).