2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide

C17H19Cl2N3O2S — CID 108746677

IUPAC2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCN(Cc1csc(CN2CCOCC2)n1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N3O2S/c1-21(17(23)14-3-2-12(18)8-15(14)19)9-13-11-25-16(20-13)10-22-4-6-24-7-5-22/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyBWAJPAFKZJIXHG-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.55
Rot. Bonds5

About 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide

2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 108746677) has the molecular formula C17H19Cl2N3O2S and a molecular weight of 400.33 g/mol. Its IUPAC name is 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID108746677
Molecular FormulaC17H19Cl2N3O2S
Molecular Weight400.33 g/mol
Exact Mass399.06
IUPAC Name2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCN(Cc1csc(CN2CCOCC2)n1)C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H19Cl2N3O2S/c1-21(17(23)14-3-2-12(18)8-15(14)19)9-13-11-25-16(20-13)10-22-4-6-24-7-5-22/h2-3,8,11H,4-7,9-10H2,1H3
InChIKeyBWAJPAFKZJIXHG-UHFFFAOYSA-N
XLogP3.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide (CID 108746677) is 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide is CN(Cc1csc(CN2CCOCC2)n1)C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is BWAJPAFKZJIXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O2S/c1-21(17(23)14-3-2-12(18)8-15(14)19)9-13-11-25-16(20-13)10-22-4-6-24-7-5-22/h2-3,8,11H,4-7,9-10H2,1H3.
What are the key properties of 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide?
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 400.33 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 108746677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).