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

C24H25Cl2N3O3S — CID 54753108

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H25Cl2N3O3S/c25-21-6-1-17(13-22(21)26)15-27-23(30)14-19-16-33-24(28-19)18-2-4-20(5-3-18)32-12-9-29-7-10-31-11-8-29/h1-6,13,16H,7-12,14-15H2,(H,27,30)
InChIKeyGXACUOVCWNAQJM-UHFFFAOYSA-N
MW506.46 g/mol
LogP4.69
Rot. Bonds9

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

N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 54753108) has the molecular formula C24H25Cl2N3O3S and a molecular weight of 506.46 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID54753108
Molecular FormulaC24H25Cl2N3O3S
Molecular Weight506.46 g/mol
Exact Mass505.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H25Cl2N3O3S/c25-21-6-1-17(13-22(21)26)15-27-23(30)14-19-16-33-24(28-19)18-2-4-20(5-3-18)32-12-9-29-7-10-31-11-8-29/h1-6,13,16H,7-12,14-15H2,(H,27,30)
InChIKeyGXACUOVCWNAQJM-UHFFFAOYSA-N
XLogP4.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (CID 54753108) is N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is GXACUOVCWNAQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3S/c25-21-6-1-17(13-22(21)26)15-27-23(30)14-19-16-33-24(28-19)18-2-4-20(5-3-18)32-12-9-29-7-10-31-11-8-29/h1-6,13,16H,7-12,14-15H2,(H,27,30).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 506.46 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 54753108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).