2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide

C21H20ClN3O3S — CID 24598889

IUPAC2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
SMILESCC(=O)N(c1nc(COc2ccc(Cl)cc2C(N)=O)cs1)c1cccc(C)c1C
InChIInChI=1S/C21H20ClN3O3S/c1-12-5-4-6-18(13(12)2)25(14(3)26)21-24-16(11-29-21)10-28-19-8-7-15(22)9-17(19)20(23)27/h4-9,11H,10H2,1-3H3,(H2,23,27)
InChIKeyDIWXESRHBOEMAT-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.78
Rot. Bonds6

About 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide

2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide (PubChem CID 24598889) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide.

Molecular Properties

Compound Name2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
PubChem CID24598889
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC Name2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide
SMILESCC(=O)N(c1nc(COc2ccc(Cl)cc2C(N)=O)cs1)c1cccc(C)c1C
InChIInChI=1S/C21H20ClN3O3S/c1-12-5-4-6-18(13(12)2)25(14(3)26)21-24-16(11-29-21)10-28-19-8-7-15(22)9-17(19)20(23)27/h4-9,11H,10H2,1-3H3,(H2,23,27)
InChIKeyDIWXESRHBOEMAT-UHFFFAOYSA-N
XLogP4.78
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
The IUPAC name of 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide (CID 24598889) is 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide.
What is the SMILES notation for 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
The canonical SMILES for 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide is CC(=O)N(c1nc(COc2ccc(Cl)cc2C(N)=O)cs1)c1cccc(C)c1C.
What is the InChIKey of 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
The InChIKey is DIWXESRHBOEMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c1-12-5-4-6-18(13(12)2)25(14(3)26)21-24-16(11-29-21)10-28-19-8-7-15(22)9-17(19)20(23)27/h4-9,11H,10H2,1-3H3,(H2,23,27).
What are the key properties of 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide?
2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide has a molecular weight of 429.93 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methoxy]-5-chlorobenzamide is sourced from PubChem (CID 24598889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).