3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide

C11H9N3O3S — CID 110463662

IUPAC3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O3S/c15-11(13-7-10-12-4-5-18-10)8-2-1-3-9(6-8)14(16)17/h1-6H,7H2,(H,13,15)
InChIKeyRLECDXWNIMSVQL-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.98
Rot. Bonds4

About 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide

3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 110463662) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID110463662
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O3S/c15-11(13-7-10-12-4-5-18-10)8-2-1-3-9(6-8)14(16)17/h1-6H,7H2,(H,13,15)
InChIKeyRLECDXWNIMSVQL-UHFFFAOYSA-N
XLogP1.98
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-nitro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774047
2-[[(3-nitrobenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379283
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
N-benzyl-3-nitro(11C)benzamide
CID 71606846
3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110486058
2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103800073
N-(bromomethyl)-3-nitrobenzamide
CID 152767931
3-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 17163934
N-[(4-fluorophenyl)methyl]-3-nitrobenzamide
CID 737682
N-[[2-(hydroxymethyl)phenyl]methyl]-3-nitrobenzamide
CID 110902363
3-nitro-N-[7-[(3-nitrobenzoyl)amino]heptyl]benzamide
CID 3626830
2-(methylamino)-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115936633

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 110463662) is 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide is O=C(NCc1nccs1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is RLECDXWNIMSVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-11(13-7-10-12-4-5-18-10)8-2-1-3-9(6-8)14(16)17/h1-6H,7H2,(H,13,15).
What are the key properties of 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide?
3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 263.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 110463662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).