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

C24H26ClN3O3S — CID 56640961

IUPACN-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3S/c25-22-4-2-1-3-19(22)16-26-23(29)15-20-17-32-24(27-20)18-5-7-21(8-6-18)31-14-11-28-9-12-30-13-10-28/h1-8,17H,9-16H2,(H,26,29)
InChIKeyQPTVKHSUWDBRQM-UHFFFAOYSA-N
MW472.01 g/mol
LogP4.03
Rot. Bonds9

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

N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 56640961) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID56640961
Molecular FormulaC24H26ClN3O3S
Molecular Weight472.01 g/mol
Exact Mass471.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3S/c25-22-4-2-1-3-19(22)16-26-23(29)15-20-17-32-24(27-20)18-5-7-21(8-6-18)31-14-11-28-9-12-30-13-10-28/h1-8,17H,9-16H2,(H,26,29)
InChIKeyQPTVKHSUWDBRQM-UHFFFAOYSA-N
XLogP4.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.01
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide (CID 56640961) is N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is QPTVKHSUWDBRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c25-22-4-2-1-3-19(22)16-26-23(29)15-20-17-32-24(27-20)18-5-7-21(8-6-18)31-14-11-28-9-12-30-13-10-28/h1-8,17H,9-16H2,(H,26,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 472.01 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-[4-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 56640961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).