2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide

C23H16Cl2N2O2S — CID 19178578

IUPAC2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C23H16Cl2N2O2S/c24-18-10-11-19(25)21(12-18)29-13-22(28)27-23-26-20(14-30-23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,26,27,28)
InChIKeyPBOUFHVUWAQQJO-UHFFFAOYSA-N
MW455.37 g/mol
LogP6.80
Rot. Bonds6

About 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide

2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19178578) has the molecular formula C23H16Cl2N2O2S and a molecular weight of 455.37 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19178578
Molecular FormulaC23H16Cl2N2O2S
Molecular Weight455.37 g/mol
Exact Mass454.03
IUPAC Name2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C23H16Cl2N2O2S/c24-18-10-11-19(25)21(12-18)29-13-22(28)27-23-26-20(14-30-23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,26,27,28)
InChIKeyPBOUFHVUWAQQJO-UHFFFAOYSA-N
XLogP6.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.37
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 19196652
2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 28913291
2-(2,5-dichlorophenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108751372
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196780
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23904810
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196755
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4643294
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 19196624

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide (CID 19178578) is 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide is O=C(COc1cc(Cl)ccc1Cl)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PBOUFHVUWAQQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2S/c24-18-10-11-19(25)21(12-18)29-13-22(28)27-23-26-20(14-30-23)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14H,13H2,(H,26,27,28).
What are the key properties of 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 455.37 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19178578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).