N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

C18H15N3O4S — CID 26737793

IUPACN-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1c(NC(=O)c2ccc(OCc3cscn3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O4S/c1-12-16(3-2-4-17(12)21(23)24)20-18(22)13-5-7-15(8-6-13)25-9-14-10-26-11-19-14/h2-8,10-11H,9H2,1H3,(H,20,22)
InChIKeyMJIKMPDJATYDAD-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.19
Rot. Bonds6

About N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 26737793) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID26737793
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCc1c(NC(=O)c2ccc(OCc3cscn3)cc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H15N3O4S/c1-12-16(3-2-4-17(12)21(23)24)20-18(22)13-5-7-15(8-6-13)25-9-14-10-26-11-19-14/h2-8,10-11H,9H2,1H3,(H,20,22)
InChIKeyMJIKMPDJATYDAD-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-(2-methyl-3-nitrophenyl)-4-phenylmethoxybenzamide
CID 9395656
4-(2-ethoxyethoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 17112581
4-(3-methylbutoxy)-N-(2-methyl-3-nitrophenyl)benzamide
CID 4948152
4-(aminomethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43708480
N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757
N,N-diethyl-2-[[4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]benzamide
CID 86835530
N-[(2-methyl-3-nitrophenyl)carbamothioyl]-4-phenylmethoxybenzamide
CID 22777618
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
4-ethoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 4948861
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]benzamide
CID 31732776
3-iodo-4-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 5186267

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 26737793) is N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is Cc1c(NC(=O)c2ccc(OCc3cscn3)cc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is MJIKMPDJATYDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c1-12-16(3-2-4-17(12)21(23)24)20-18(22)13-5-7-15(8-6-13)25-9-14-10-26-11-19-14/h2-8,10-11H,9H2,1H3,(H,20,22).
What are the key properties of N-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(2-methyl-3-nitrophenyl)-4-(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-(2-methyl-3-nitrophenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 26737793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).