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

C18H13Cl3N2O2S — CID 23912685

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C18H13Cl3N2O2S/c19-12-6-4-11(5-7-12)8-13-9-22-18(26-13)23-16(24)10-25-15-3-1-2-14(20)17(15)21/h1-7,9H,8,10H2,(H,22,23,24)
InChIKeyPIFBFSLRGGMTJN-UHFFFAOYSA-N
MW427.74 g/mol
LogP5.71
Rot. Bonds6

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

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide (PubChem CID 23912685) has the molecular formula C18H13Cl3N2O2S and a molecular weight of 427.74 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
PubChem CID23912685
Molecular FormulaC18H13Cl3N2O2S
Molecular Weight427.74 g/mol
Exact Mass425.98
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1Cl)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C18H13Cl3N2O2S/c19-12-6-4-11(5-7-12)8-13-9-22-18(26-13)23-16(24)10-25-15-3-1-2-14(20)17(15)21/h1-7,9H,8,10H2,(H,22,23,24)
InChIKeyPIFBFSLRGGMTJN-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

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446
2-(2,5-dichlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23799625
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxy-4-formylphenoxy)acetamide
CID 18827652
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 23939959
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 3925208
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
2-(2-ethoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836350
2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23800530
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 1113630
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 86920219
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide (CID 23912685) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1Cl)Nc1ncc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide?
The InChIKey is PIFBFSLRGGMTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2S/c19-12-6-4-11(5-7-12)8-13-9-22-18(26-13)23-16(24)10-25-15-3-1-2-14(20)17(15)21/h1-7,9H,8,10H2,(H,22,23,24).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide?
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-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-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide is sourced from PubChem (CID 23912685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).