4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide

C18H15N3O4S — CID 9040817

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cs1
InChIInChI=1S/C18H15N3O4S/c1-12-19-15(11-26-12)10-25-17-7-5-13(6-8-17)18(22)20-14-3-2-4-16(9-14)21(23)24/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyGSNLEYUHRFDIDC-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.19
Rot. Bonds6

About 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide (PubChem CID 9040817) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
PubChem CID9040817
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cs1
InChIInChI=1S/C18H15N3O4S/c1-12-19-15(11-26-12)10-25-17-7-5-13(6-8-17)18(22)20-14-3-2-4-16(9-14)21(23)24/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyGSNLEYUHRFDIDC-UHFFFAOYSA-N
XLogP4.19
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.19
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-(3-fluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9068043
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
CID 27700367
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
2-(2-methyl-1,3-thiazol-4-yl)-N-(3-nitrophenyl)acetamide
CID 19242160
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 7965685
N-(2,3-dihydro-1H-inden-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9047146
N-(3-fluoro-4-pyrazol-1-ylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55820396
N'-[3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enoyl]-3-nitrobenzohydrazide
CID 55486432
4-hydroxy-N-(3-nitrophenyl)benzamide
CID 22759587
N-(3-nitrophenyl)-4-phenoxybenzamide
CID 7965638
N-[3-(3-cyanopropoxy)phenyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55878584

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide (CID 9040817) is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide is Cc1nc(COc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide?
The InChIKey is GSNLEYUHRFDIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-12-19-15(11-26-12)10-25-17-7-5-13(6-8-17)18(22)20-14-3-2-4-16(9-14)21(23)24/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide?
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide has a molecular weight of 369.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 9040817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).