4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide

C14H15N3O5S — CID 18203866

IUPAC4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C14H15N3O5S/c1-4-22-12-6-10(17(19)20)9(5-11(12)21-3)13(18)16-14-15-8(2)7-23-14/h5-7H,4H2,1-3H3,(H,15,16,18)
InChIKeyLEYMJIKUUZBTKX-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.02
Rot. Bonds6

About 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide

4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide (PubChem CID 18203866) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
PubChem CID18203866
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC Name4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
SMILESCCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)cs2)cc1OC
InChIInChI=1S/C14H15N3O5S/c1-4-22-12-6-10(17(19)20)9(5-11(12)21-3)13(18)16-14-15-8(2)7-23-14/h5-7H,4H2,1-3H3,(H,15,16,18)
InChIKeyLEYMJIKUUZBTKX-UHFFFAOYSA-N
XLogP3.02
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.02
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

5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 34049444
4-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methoxy-2-nitrobenzamide
CID 8928038
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethoxy-4-methoxy-2-nitrobenzoate
CID 35350202
N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
5-ethoxy-4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitro-N-phenylbenzamide
CID 34053297
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 18203888
5-methoxy-4-(2-methoxyethoxy)-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 55466944
N-(5-chloro-2-pyridinyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 34136931
4-ethoxy-5-methoxy-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9255470
N-(2,5-dimethoxyphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 34051188
N-(2,4-dimethoxyphenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 8927273
4-ethoxy-5-methoxy-N-(1-methylpyrazol-4-yl)-2-nitrobenzamide
CID 31920662

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The IUPAC name of 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide (CID 18203866) is 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The canonical SMILES for 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide is CCOc1cc([N+](=O)[O-])c(C(=O)Nc2nc(C)cs2)cc1OC.
What is the InChIKey of 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
The InChIKey is LEYMJIKUUZBTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S/c1-4-22-12-6-10(17(19)20)9(5-11(12)21-3)13(18)16-14-15-8(2)7-23-14/h5-7H,4H2,1-3H3,(H,15,16,18).
What are the key properties of 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide?
4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide has a molecular weight of 337.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide is sourced from PubChem (CID 18203866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).