2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide

C13H12ClN3O4S — CID 3152621

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C13H12ClN3O4S/c1-13(2,21-9-5-3-8(14)4-6-9)11(18)16-12-15-7-10(22-12)17(19)20/h3-7H,1-2H3,(H,15,16,18)
InChIKeyYEFSQASFGWYJOU-UHFFFAOYSA-N
MW341.78 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide (PubChem CID 3152621) has the molecular formula C13H12ClN3O4S and a molecular weight of 341.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
PubChem CID3152621
Molecular FormulaC13H12ClN3O4S
Molecular Weight341.78 g/mol
Exact Mass341.02
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C13H12ClN3O4S/c1-13(2,21-9-5-3-8(14)4-6-9)11(18)16-12-15-7-10(22-12)17(19)20/h3-7H,1-2H3,(H,15,16,18)
InChIKeyYEFSQASFGWYJOU-UHFFFAOYSA-N
XLogP3.50
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 53.50
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

2-(4-chlorophenoxy)-N-(5-nitro-2-thiazolyl)acetamide
CID 3148028
N-(5-nitro-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 2947324
[2-[(5-Nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4274507
2-(4-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2899080
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenoxyphenoxy)acetamide
CID 127050758
2-(4-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 307016
4-(2,4-dichlorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)butanamide
CID 2844901
2-(4-Chlorophenoxy)-2-methyl-N-(thiazol-2-yl)propanamide
CID 800397
2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 804227
2-(3-fluorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 21537905
N-(5-chloro-1,3-thiazol-2-yl)-2-(2,4-difluorophenoxy)-2-methylpropanamide
CID 24962688
2-(3-chlorophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2932090

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide (CID 3152621) is 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide?
The InChIKey is YEFSQASFGWYJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4S/c1-13(2,21-9-5-3-8(14)4-6-9)11(18)16-12-15-7-10(22-12)17(19)20/h3-7H,1-2H3,(H,15,16,18).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide has a molecular weight of 341.78 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3152621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).