N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide

C22H23ClN2O2S — CID 46008365

IUPACN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(C)C
InChIInChI=1S/C22H23ClN2O2S/c1-15(2)25(22(26)20-7-5-4-6-16(20)3)12-18-14-28-21(24-18)13-27-19-10-8-17(23)9-11-19/h4-11,14-15H,12-13H2,1-3H3
InChIKeyKDULGBIIVNBDHL-UHFFFAOYSA-N
MW414.96 g/mol
LogP5.73
Rot. Bonds7

About N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide (PubChem CID 46008365) has the molecular formula C22H23ClN2O2S and a molecular weight of 414.96 g/mol. Its IUPAC name is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
PubChem CID46008365
Molecular FormulaC22H23ClN2O2S
Molecular Weight414.96 g/mol
Exact Mass414.12
IUPAC NameN-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide
SMILESCc1ccccc1C(=O)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(C)C
InChIInChI=1S/C22H23ClN2O2S/c1-15(2)25(22(26)20-7-5-4-6-16(20)3)12-18-14-28-21(24-18)13-27-19-10-8-17(23)9-11-19/h4-11,14-15H,12-13H2,1-3H3
InChIKeyKDULGBIIVNBDHL-UHFFFAOYSA-N
XLogP5.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.96
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide with MolForge

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Related Compounds

2-methyl-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46009300
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46008357
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46009294
2-fluoro-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 42682438
N-butan-2-yl-2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46009415
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42837427
N-butan-2-yl-4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682545
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylacetamide
CID 24714441
N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008111
N-[(2S)-butan-2-yl]-4-chloro-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165916
N-(2-methoxyethyl)-2-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009190
4-fluoro-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46009193

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide (CID 46008365) is N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide is Cc1ccccc1C(=O)N(Cc1csc(COc2ccc(Cl)cc2)n1)C(C)C.
What is the InChIKey of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide?
The InChIKey is KDULGBIIVNBDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2S/c1-15(2)25(22(26)20-7-5-4-6-16(20)3)12-18-14-28-21(24-18)13-27-19-10-8-17(23)9-11-19/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide?
N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 414.96 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 46008365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).