N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide

C19H24Cl2N2O2S — CID 86964999

IUPACN-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOC(C)c1nc(CC(=O)NCC(C)(C)c2c(Cl)cccc2Cl)cs1
InChIInChI=1S/C19H24Cl2N2O2S/c1-5-25-12(2)18-23-13(10-26-18)9-16(24)22-11-19(3,4)17-14(20)7-6-8-15(17)21/h6-8,10,12H,5,9,11H2,1-4H3,(H,22,24)
InChIKeyVUWXNCJISSJIIM-UHFFFAOYSA-N
MW415.39 g/mol
LogP5.18
Rot. Bonds8

About N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide

N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 86964999) has the molecular formula C19H24Cl2N2O2S and a molecular weight of 415.39 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID86964999
Molecular FormulaC19H24Cl2N2O2S
Molecular Weight415.39 g/mol
Exact Mass414.09
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide
SMILESCCOC(C)c1nc(CC(=O)NCC(C)(C)c2c(Cl)cccc2Cl)cs1
InChIInChI=1S/C19H24Cl2N2O2S/c1-5-25-12(2)18-23-13(10-26-18)9-16(24)22-11-19(3,4)17-14(20)7-6-8-15(17)21/h6-8,10,12H,5,9,11H2,1-4H3,(H,22,24)
InChIKeyVUWXNCJISSJIIM-UHFFFAOYSA-N
XLogP5.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide with MolForge

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Related Compounds

methyl 2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetate
CID 78992497
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111539509
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]pentanamide
CID 120562379
ethyl 2-[[2-[2-(1-amino-2-methylpropyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547809
ethyl 2-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 82547812
1-[[2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 167826871
N-(2-ethyl-2-hydroxybutyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 111463295
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
CID 119319554
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111460235
4-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591825
N-(2-amino-2-methylpropyl)-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119627873
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 86964826

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide (CID 86964999) is N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide is CCOC(C)c1nc(CC(=O)NCC(C)(C)c2c(Cl)cccc2Cl)cs1.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is VUWXNCJISSJIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O2S/c1-5-25-12(2)18-23-13(10-26-18)9-16(24)22-11-19(3,4)17-14(20)7-6-8-15(17)21/h6-8,10,12H,5,9,11H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 415.39 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86964999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).