2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide

C19H17N3O4S — CID 19176250

IUPAC2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C
InChIInChI=1S/C19H17N3O4S/c1-12-3-8-16(9-13(12)2)26-10-18(23)21-19-20-17(11-27-19)14-4-6-15(7-5-14)22(24)25/h3-9,11H,10H2,1-2H3,(H,20,21,23)
InChIKeySHDIWJORPXYABT-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.35
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide

2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 19176250) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID19176250
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Name2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C
InChIInChI=1S/C19H17N3O4S/c1-12-3-8-16(9-13(12)2)26-10-18(23)21-19-20-17(11-27-19)14-4-6-15(7-5-14)22(24)25/h3-9,11H,10H2,1-2H3,(H,20,21,23)
InChIKeySHDIWJORPXYABT-UHFFFAOYSA-N
XLogP4.35
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.35
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'}

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Related Compounds

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 18227067
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406670
2-[4-(4-methylphenyl)phenoxy]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19180746
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-4-nitrophenoxy)acetamide
CID 1406701
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 19178509
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 1194542
2-(4-bromo-3-methylphenoxy)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19173197
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
2-(4-chloro-3-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918628
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7921909

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CID 19176250) is 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is SHDIWJORPXYABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-12-3-8-16(9-13(12)2)26-10-18(23)21-19-20-17(11-27-19)14-4-6-15(7-5-14)22(24)25/h3-9,11H,10H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 383.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 19176250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).