4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C11H9N3O4S — CID 3113439

IUPAC4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C11H9N3O4S/c1-18-8-4-2-7(3-5-8)10(15)13-11-12-6-9(19-11)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyDBHUGAVWJOUDKM-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.31
Rot. Bonds4

About 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide

4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 3113439) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID3113439
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1
InChIInChI=1S/C11H9N3O4S/c1-18-8-4-2-7(3-5-8)10(15)13-11-12-6-9(19-11)14(16)17/h2-6H,1H3,(H,12,13,15)
InChIKeyDBHUGAVWJOUDKM-UHFFFAOYSA-N
XLogP2.31
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.31
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

4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612
methane;1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea
CID 142331235
5-methoxy-N-(5-nitro-1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 23658514
methyl N-[1-methyl-6-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzimidazol-2-yl]carbamate
CID 72725188
3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 81307785
N-[(5-nitro-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 126601215
4-methoxy-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850442
[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 23883710
2,4-dimethyl-N-(5-nitro-1,3-thiazol-2-yl)-1,3-oxazole-5-carboxamide
CID 7113449
N-[4-amino-5-(2-nitrobenzoyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 20590574
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzamide
CID 739499

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 3113439) is 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1.
What is the InChIKey of 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is DBHUGAVWJOUDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c1-18-8-4-2-7(3-5-8)10(15)13-11-12-6-9(19-11)14(16)17/h2-6H,1H3,(H,12,13,15).
What are the key properties of 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 279.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3113439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).