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

C18H16ClN3O2S — CID 70273771

IUPAC2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)Cc2cccc(Oc3ccc(N)cc3)c2)c1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-11-17(19)18(25-22-11)21-16(23)10-12-3-2-4-15(9-12)24-14-7-5-13(20)6-8-14/h2-9H,10,20H2,1H3,(H,21,23)
InChIKeyUMYGIUKMJODSEL-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.66
Rot. Bonds5

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

2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide (PubChem CID 70273771) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide
PubChem CID70273771
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1nsc(NC(=O)Cc2cccc(Oc3ccc(N)cc3)c2)c1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-11-17(19)18(25-22-11)21-16(23)10-12-3-2-4-15(9-12)24-14-7-5-13(20)6-8-14/h2-9H,10,20H2,1H3,(H,21,23)
InChIKeyUMYGIUKMJODSEL-UHFFFAOYSA-N
XLogP4.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-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

N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]-2,2-dimethylpropanamide
CID 57082334
propan-2-yl N-[4-[4-[2-[(4-chloro-3-methyl-1,2-thiazol-5-yl)amino]-2-oxoethyl]phenoxy]phenyl]carbamate
CID 15405404
N-(3-methylphenyl)-2-(3-phenoxyphenyl)acetamide
CID 59014791
4-[3-(2-aminopropyl)phenoxy]aniline
CID 116996628
4-[3-(2-chloroethyl)phenoxy]aniline
CID 116996649
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]acetamide
CID 21347878
2-(4-chlorophenyl)-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 5085866
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(2,2-dimethylbut-3-enyl)-1,3-benzoxazol-5-yl]acetamide
CID 70249702
methyl 4-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]benzoate
CID 10023622
N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-[2-(3-methoxyimino-2,2-dimethylpropyl)-1,3-benzoxazol-5-yl]acetamide
CID 142078011
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
5-[[2-(3-chlorophenoxy)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870143

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide?
The IUPAC name of 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide (CID 70273771) is 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide is Cc1nsc(NC(=O)Cc2cccc(Oc3ccc(N)cc3)c2)c1Cl.
What is the InChIKey of 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide?
The InChIKey is UMYGIUKMJODSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-11-17(19)18(25-22-11)21-16(23)10-12-3-2-4-15(9-12)24-14-7-5-13(20)6-8-14/h2-9H,10,20H2,1H3,(H,21,23).
What are the key properties of 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide?
2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide has a molecular weight of 373.87 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminophenoxy)phenyl]-N-(4-chloro-3-methyl-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 70273771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).