N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

C17H13N3O4S — CID 27285386

IUPACN-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C17H13N3O4S/c21-17(19-13-4-6-15(7-5-13)20(22)23)12-2-1-3-16(8-12)24-9-14-10-25-11-18-14/h1-8,10-11H,9H2,(H,19,21)
InChIKeyKBTWOYUZIURGAP-UHFFFAOYSA-N
MW355.38 g/mol
LogP3.88
Rot. Bonds6

About N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 27285386) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID27285386
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC NameN-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C17H13N3O4S/c21-17(19-13-4-6-15(7-5-13)20(22)23)12-2-1-3-16(8-12)24-9-14-10-25-11-18-14/h1-8,10-11H,9H2,(H,19,21)
InChIKeyKBTWOYUZIURGAP-UHFFFAOYSA-N
XLogP3.88
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.88
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-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55503341
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55732736
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27286247
[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55737843
[4-(thiophene-2-carbonylamino)phenyl] 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 34806518
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 27285386) is N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(OCc2cscn2)c1.
What is the InChIKey of N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is KBTWOYUZIURGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c21-17(19-13-4-6-15(7-5-13)20(22)23)12-2-1-3-16(8-12)24-9-14-10-25-11-18-14/h1-8,10-11H,9H2,(H,19,21).
What are the key properties of N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 355.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 27285386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).