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

C18H15N3O4S — CID 27005757

IUPACN-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O4S/c1-12-5-6-14(8-17(12)21(23)24)20-18(22)13-3-2-4-16(7-13)25-9-15-10-26-11-19-15/h2-8,10-11H,9H2,1H3,(H,20,22)
InChIKeyWSEHBNCZLHELEC-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.19
Rot. Bonds6

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

N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 27005757) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID27005757
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O4S/c1-12-5-6-14(8-17(12)21(23)24)20-18(22)13-3-2-4-16(7-13)25-9-15-10-26-11-19-15/h2-8,10-11H,9H2,1H3,(H,20,22)
InChIKeyWSEHBNCZLHELEC-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-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55503341
N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87008296
N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 26737793
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 41360644
tert-butyl N-[2-fluoro-5-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]carbamate
CID 55768238
N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86866369

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 27005757) is N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is WSEHBNCZLHELEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-12-5-6-14(8-17(12)21(23)24)20-18(22)13-3-2-4-16(7-13)25-9-15-10-26-11-19-15/h2-8,10-11H,9H2,1H3,(H,20,22).
What are the key properties of N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)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 N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 27005757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).