2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

C18H13ClN2O3S — CID 28913291

IUPAC2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c(Cl)c1
InChIInChI=1S/C18H13ClN2O3S/c19-14-8-12(9-22)6-7-16(14)24-10-17(23)21-18-20-15(11-25-18)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,23)
InChIKeyAZKBQDJEFDTIDH-UHFFFAOYSA-N
MW372.83 g/mol
LogP4.29
Rot. Bonds6

About 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide

2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 28913291) has the molecular formula C18H13ClN2O3S and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID28913291
Molecular FormulaC18H13ClN2O3S
Molecular Weight372.83 g/mol
Exact Mass372.03
IUPAC Name2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESO=Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c(Cl)c1
InChIInChI=1S/C18H13ClN2O3S/c19-14-8-12(9-22)6-7-16(14)24-10-17(23)21-18-20-15(11-25-18)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,23)
InChIKeyAZKBQDJEFDTIDH-UHFFFAOYSA-N
XLogP4.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-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

Related Compounds

2-(2-chlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178554
2-(2-bromo-4-chlorophenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202180
2-(2,5-dichlorophenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178578
2-(2-bromo-4-phenylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196780
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 23904810
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(2-chlorophenoxy)acetamide
CID 19196624
2-(2-bromo-4-phenylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173196
N-(2-chlorophenyl)-2-[2-methoxy-4-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetamide
CID 168579384
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 4611500
2-(2-chloro-4-formylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7341227
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
4-(2-anilino-1,3-thiazol-4-yl)-N-[(E)-[3-chloro-4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126381921

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 28913291) is 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is O=Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)cs2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is AZKBQDJEFDTIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3S/c19-14-8-12(9-22)6-7-16(14)24-10-17(23)21-18-20-15(11-25-18)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,20,21,23).
What are the key properties of 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 372.83 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-formylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 28913291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).