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

C18H13Cl3N2O2S — CID 23939959

IUPACN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C18H13Cl3N2O2S/c19-12-5-6-15(21)16(8-12)25-10-17(24)23-18-22-9-13(26-18)7-11-3-1-2-4-14(11)20/h1-6,8-9H,7,10H2,(H,22,23,24)
InChIKeyODNLMRNMGJFZBZ-UHFFFAOYSA-N
MW427.74 g/mol
LogP5.71
Rot. Bonds6

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

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide (PubChem CID 23939959) has the molecular formula C18H13Cl3N2O2S and a molecular weight of 427.74 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
PubChem CID23939959
Molecular FormulaC18H13Cl3N2O2S
Molecular Weight427.74 g/mol
Exact Mass425.98
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
SMILESO=C(COc1cc(Cl)ccc1Cl)Nc1ncc(Cc2ccccc2Cl)s1
InChIInChI=1S/C18H13Cl3N2O2S/c19-12-5-6-15(21)16(8-12)25-10-17(24)23-18-22-9-13(26-18)7-11-3-1-2-4-14(11)20/h1-6,8-9H,7,10H2,(H,22,23,24)
InChIKeyODNLMRNMGJFZBZ-UHFFFAOYSA-N
XLogP5.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.74
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23800530
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 18836184
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 18836122
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 18836170
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-cyanoacetamide
CID 2068778
N-[3-[2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46409475
2-(4-chlorophenoxy)-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1371006
3-amino-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]butanamide
CID 119698331
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 7177750
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide (CID 23939959) is N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide is O=C(COc1cc(Cl)ccc1Cl)Nc1ncc(Cc2ccccc2Cl)s1.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide?
The InChIKey is ODNLMRNMGJFZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2S/c19-12-5-6-15(21)16(8-12)25-10-17(24)23-18-22-9-13(26-18)7-11-3-1-2-4-14(11)20/h1-6,8-9H,7,10H2,(H,22,23,24).
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide?
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide has a molecular weight of 427.74 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide is sourced from PubChem (CID 23939959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).