N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

C21H20Cl2N2O2S — CID 31144646

IUPACN-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)N(C)Cc3cccc(Cl)c3Cl)cs2)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-14-6-8-17(9-7-14)27-12-19-24-16(13-28-19)10-20(26)25(2)11-15-4-3-5-18(22)21(15)23/h3-9,13H,10-12H2,1-2H3
InChIKeyMCZBDJVQMUTJTR-UHFFFAOYSA-N
MW435.38 g/mol
LogP5.54
Rot. Bonds7

About N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide

N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 31144646) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
PubChem CID31144646
Molecular FormulaC21H20Cl2N2O2S
Molecular Weight435.38 g/mol
Exact Mass434.06
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(OCc2nc(CC(=O)N(C)Cc3cccc(Cl)c3Cl)cs2)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-14-6-8-17(9-7-14)27-12-19-24-16(13-28-19)10-20(26)25(2)11-15-4-3-5-18(22)21(15)23/h3-9,13H,10-12H2,1-2H3
InChIKeyMCZBDJVQMUTJTR-UHFFFAOYSA-N
XLogP5.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 111543162
3-[methyl-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 119232998
N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 134008734
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397
N-(1-aminopropan-2-yl)-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 119583421
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 27872001
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51267222
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 31641686
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylacetamide
CID 55445857
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N'-(2,4,6-trichlorophenyl)acetohydrazide
CID 27895579
N-benzyl-N-(furan-2-ylmethyl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 37428292

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide (CID 31144646) is N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is Cc1ccc(OCc2nc(CC(=O)N(C)Cc3cccc(Cl)c3Cl)cs2)cc1.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is MCZBDJVQMUTJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c1-14-6-8-17(9-7-14)27-12-19-24-16(13-28-19)10-20(26)25(2)11-15-4-3-5-18(22)21(15)23/h3-9,13H,10-12H2,1-2H3.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide?
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 435.38 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 31144646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).