2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C13H13N3O5S — CID 3120539

IUPAC2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC
InChIInChI=1S/C13H13N3O5S/c1-20-9-4-3-8(5-10(9)21-2)6-11(17)15-13-14-7-12(22-13)16(18)19/h3-5,7H,6H2,1-2H3,(H,14,15,17)
InChIKeyVFZWFPLGVTZWTQ-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.25
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 3120539) has the molecular formula C13H13N3O5S and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID3120539
Molecular FormulaC13H13N3O5S
Molecular Weight323.33 g/mol
Exact Mass323.06
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC
InChIInChI=1S/C13H13N3O5S/c1-20-9-4-3-8(5-10(9)21-2)6-11(17)15-13-14-7-12(22-13)16(18)19/h3-5,7H,6H2,1-2H3,(H,14,15,17)
InChIKeyVFZWFPLGVTZWTQ-UHFFFAOYSA-N
XLogP2.25
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
N-(5-nitrothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 3126531
3,4-dimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721807
2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
N-(5-methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2091162
3,4-Dimethoxybenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester
CID 16329946
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 137654181
2-(3,4-diethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 730240
3-(3,4-dimethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2445798
N-(1,3-thiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2666604
2-hydroxy-3-methoxy-N-(5-nitrothiazol-2-yl)benzamide
CID 11601774
N-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2083475

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 3120539) is 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is VFZWFPLGVTZWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S/c1-20-9-4-3-8(5-10(9)21-2)6-11(17)15-13-14-7-12(22-13)16(18)19/h3-5,7H,6H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 323.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3120539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).