4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide

C19H17N3O5S — CID 55677206

IUPAC4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O5S/c1-3-27-17-9-8-12(10-15(17)22(24)25)18(23)21-19-20-14(11-28-19)13-6-4-5-7-16(13)26-2/h4-11H,3H2,1-2H3,(H,20,21,23)
InChIKeyWUVNBIMKWXEVDK-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.38
Rot. Bonds7

About 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide

4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide (PubChem CID 55677206) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
PubChem CID55677206
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
SMILESCCOc1ccc(C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1[N+](=O)[O-]
InChIInChI=1S/C19H17N3O5S/c1-3-27-17-9-8-12(10-15(17)22(24)25)18(23)21-19-20-14(11-28-19)13-6-4-5-7-16(13)26-2/h4-11H,3H2,1-2H3,(H,20,21,23)
InChIKeyWUVNBIMKWXEVDK-UHFFFAOYSA-N
XLogP4.38
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.38
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

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-ethoxy-3-nitrobenzamide
CID 1280364
4-methoxy-3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 8924132
4-methoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 7917259
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methoxy-3-nitrobenzamide
CID 7921823
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-(1,3-benzothiazol-2-yl)-4-ethoxy-3-nitrobenzamide
CID 9391634
4-methoxy-N-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamothioyl]-3-nitrobenzamide
CID 2293558
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-nitrobenzamide
CID 19219294
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588
4-methoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 9094711
5-ethoxy-4-methoxy-2-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 34049444
2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 55677425

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
The IUPAC name of 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide (CID 55677206) is 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
The canonical SMILES for 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide is CCOc1ccc(C(=O)Nc2nc(-c3ccccc3OC)cs2)cc1[N+](=O)[O-].
What is the InChIKey of 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
The InChIKey is WUVNBIMKWXEVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c1-3-27-17-9-8-12(10-15(17)22(24)25)18(23)21-19-20-14(11-28-19)13-6-4-5-7-16(13)26-2/h4-11H,3H2,1-2H3,(H,20,21,23).
What are the key properties of 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide?
4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide has a molecular weight of 399.43 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide is sourced from PubChem (CID 55677206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).