2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide

C18H14Cl2N2O4S — CID 165342796

IUPAC2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)c(O)c1
InChIInChI=1S/C18H14Cl2N2O4S/c1-25-11-3-4-12(15(23)7-11)14-9-27-18(21-14)22-17(24)8-26-16-5-2-10(19)6-13(16)20/h2-7,9,23H,8H2,1H3,(H,21,22,24)
InChIKeyZZNPQKLQKZZORX-UHFFFAOYSA-N
MW425.29 g/mol
LogP4.85
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 165342796) has the molecular formula C18H14Cl2N2O4S and a molecular weight of 425.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID165342796
Molecular FormulaC18H14Cl2N2O4S
Molecular Weight425.29 g/mol
Exact Mass424.01
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)c(O)c1
InChIInChI=1S/C18H14Cl2N2O4S/c1-25-11-3-4-12(15(23)7-11)14-9-27-18(21-14)22-17(24)8-26-16-5-2-10(19)6-13(16)20/h2-7,9,23H,8H2,1H3,(H,21,22,24)
InChIKeyZZNPQKLQKZZORX-UHFFFAOYSA-N
XLogP4.85
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-4-nitrophenoxy)-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 30395020
2-(2-bromo-4-methylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178659
2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26117136
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 4199066
2-(4-bromo-2-propan-2-ylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19202905
2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 4006854
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 4611500
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
2-[(4-chlorophenyl)methylsulfanyl]-N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 16550690
2-(2,4-dichlorophenoxy)-N-(4-phenylmethoxy-1,3-thiazol-2-yl)acetamide
CID 1323841

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 165342796) is 2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)c(O)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZZNPQKLQKZZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O4S/c1-25-11-3-4-12(15(23)7-11)14-9-27-18(21-14)22-17(24)8-26-16-5-2-10(19)6-13(16)20/h2-7,9,23H,8H2,1H3,(H,21,22,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 425.29 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-(2-hydroxy-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 165342796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).