N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide

C20H19N3O3S — CID 1123748

IUPACN-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(C(=O)c2sc(Nc3ccc(NC(C)=O)cc3)nc2C)cc1
InChIInChI=1S/C20H19N3O3S/c1-12-19(18(25)14-4-10-17(26-3)11-5-14)27-20(21-12)23-16-8-6-15(7-9-16)22-13(2)24/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyPVXQSOUPPZVQJL-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.39
Rot. Bonds6

About N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide

N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide (PubChem CID 1123748) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide
PubChem CID1123748
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide
SMILESCOc1ccc(C(=O)c2sc(Nc3ccc(NC(C)=O)cc3)nc2C)cc1
InChIInChI=1S/C20H19N3O3S/c1-12-19(18(25)14-4-10-17(26-3)11-5-14)27-20(21-12)23-16-8-6-15(7-9-16)22-13(2)24/h4-11H,1-3H3,(H,21,23)(H,22,24)
InChIKeyPVXQSOUPPZVQJL-UHFFFAOYSA-N
XLogP4.39
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]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-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide (CID 1123748) is N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide is COc1ccc(C(=O)c2sc(Nc3ccc(NC(C)=O)cc3)nc2C)cc1.
What is the InChIKey of N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide?
The InChIKey is PVXQSOUPPZVQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-12-19(18(25)14-4-10-17(26-3)11-5-14)27-20(21-12)23-16-8-6-15(7-9-16)22-13(2)24/h4-11H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide?
N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(4-methoxybenzoyl)-4-methyl-1,3-thiazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 1123748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).