N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C22H20ClN3O3S — CID 51125076

IUPACN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1sc(CNC(=O)CN2C(=O)C(C)Oc3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O3S/c1-13-22(28)26(17-5-3-4-6-18(17)29-13)12-19(27)24-11-20-25-21(14(2)30-20)15-7-9-16(23)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,27)
InChIKeyGTNYWLSXPZTGMG-UHFFFAOYSA-N
MW441.94 g/mol
LogP4.20
Rot. Bonds5

About N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 51125076) has the molecular formula C22H20ClN3O3S and a molecular weight of 441.94 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID51125076
Molecular FormulaC22H20ClN3O3S
Molecular Weight441.94 g/mol
Exact Mass441.09
IUPAC NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCc1sc(CNC(=O)CN2C(=O)C(C)Oc3ccccc32)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClN3O3S/c1-13-22(28)26(17-5-3-4-6-18(17)29-13)12-19(27)24-11-20-25-21(14(2)30-20)15-7-9-16(23)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,27)
InChIKeyGTNYWLSXPZTGMG-UHFFFAOYSA-N
XLogP4.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.94
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-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-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 51125076) is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is Cc1sc(CNC(=O)CN2C(=O)C(C)Oc3ccccc32)nc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is GTNYWLSXPZTGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3S/c1-13-22(28)26(17-5-3-4-6-18(17)29-13)12-19(27)24-11-20-25-21(14(2)30-20)15-7-9-16(23)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 441.94 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 51125076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).