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

C18H14ClN3O4S — CID 1406701

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H14ClN3O4S/c1-11-8-14(22(24)25)6-7-16(11)26-9-17(23)21-18-20-15(10-27-18)12-2-4-13(19)5-3-12/h2-8,10H,9H2,1H3,(H,20,21,23)
InChIKeyYBTJMDYMDFIKQL-UHFFFAOYSA-N
MW403.85 g/mol
LogP4.70
Rot. Bonds6

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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide (PubChem CID 1406701) has the molecular formula C18H14ClN3O4S and a molecular weight of 403.85 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
PubChem CID1406701
Molecular FormulaC18H14ClN3O4S
Molecular Weight403.85 g/mol
Exact Mass403.04
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
SMILESCc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C18H14ClN3O4S/c1-11-8-14(22(24)25)6-7-16(11)26-9-17(23)21-18-20-15(10-27-18)12-2-4-13(19)5-3-12/h2-8,10H,9H2,1H3,(H,20,21,23)
InChIKeyYBTJMDYMDFIKQL-UHFFFAOYSA-N
XLogP4.70
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)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-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406670
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 19178813
2-(4-chloro-2-methylphenoxy)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 4784997
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4643294
2-(4-chloro-2-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173202
2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19176250
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196879
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178509
2-(2-bromophenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 1193326
2-naphthalen-1-yloxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 1186312
N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 19178918
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406721

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide (CID 1406701) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide is Cc1cc([N+](=O)[O-])ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide?
The InChIKey is YBTJMDYMDFIKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4S/c1-11-8-14(22(24)25)6-7-16(11)26-9-17(23)21-18-20-15(10-27-18)12-2-4-13(19)5-3-12/h2-8,10H,9H2,1H3,(H,20,21,23).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide has a molecular weight of 403.85 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide is sourced from PubChem (CID 1406701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).