N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide

C19H18ClN3O2S — CID 11153439

IUPACN-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(/N=c2\scc(CC(=O)Nc3ccc(Cl)cc3)n2C)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-23-16(11-18(24)21-14-5-3-13(20)4-6-14)12-26-19(23)22-15-7-9-17(25-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,21,24)/b22-19-
InChIKeyLGXFZUIMHSMDEK-QOCHGBHMSA-N
MW387.89 g/mol
LogP4.16
Rot. Bonds5

About N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide

N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide (PubChem CID 11153439) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
PubChem CID11153439
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC NameN-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(/N=c2\scc(CC(=O)Nc3ccc(Cl)cc3)n2C)cc1
InChIInChI=1S/C19H18ClN3O2S/c1-23-16(11-18(24)21-14-5-3-13(20)4-6-14)12-26-19(23)22-15-7-9-17(25-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,21,24)/b22-19-
InChIKeyLGXFZUIMHSMDEK-QOCHGBHMSA-N
XLogP4.16
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-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-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide (CID 11153439) is N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide is COc1ccc(/N=c2\scc(CC(=O)Nc3ccc(Cl)cc3)n2C)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide?
The InChIKey is LGXFZUIMHSMDEK-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-23-16(11-18(24)21-14-5-3-13(20)4-6-14)12-26-19(23)22-15-7-9-17(25-2)10-8-15/h3-10,12H,11H2,1-2H3,(H,21,24)/b22-19-.
What are the key properties of N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 387.89 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 11153439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).