N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide

C10H9N3O3S — CID 45146206

IUPACN-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide
SMILESO=C(NC1N=CCS1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9N3O3S/c14-9(12-10-11-5-6-17-10)7-1-3-8(4-2-7)13(15)16/h1-5,10H,6H2,(H,12,14)
InChIKeyLMDUTZUZGNBCMY-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.43
Rot. Bonds3

About N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide

N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide (PubChem CID 45146206) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide
PubChem CID45146206
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC NameN-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide
SMILESO=C(NC1N=CCS1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9N3O3S/c14-9(12-10-11-5-6-17-10)7-1-3-8(4-2-7)13(15)16/h1-5,10H,6H2,(H,12,14)
InChIKeyLMDUTZUZGNBCMY-UHFFFAOYSA-N
XLogP1.43
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.43
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

N-cyclododecyl-4-nitrobenzamide
CID 19168070
N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-4-nitrobenzamide
CID 54037439
N-cyclopent-2-en-1-yl-4-nitrobenzamide
CID 14688662
N-[(1S,2S)-2-hydroxycyclopentyl]-4-nitrobenzamide
CID 95562447
N-(2,3-dimethylcyclohexyl)-4-nitrobenzamide
CID 3684866
4-nitro-N-trimethylsilylbenzamide
CID 12726300
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
CID 11630293
4-nitrobenzohydrazide;hydrochloride
CID 172718286
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-nitrobenzamide
CID 11471353
4-nitro-N-(thiatriazol-5-yl)benzamide
CID 19114267
N-[2-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]-4-nitrobenzamide
CID 22344770
N-formyl-4-nitrobenzamide
CID 12550339

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide?
The IUPAC name of N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide (CID 45146206) is N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide.
What is the SMILES notation for N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide?
The canonical SMILES for N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide is O=C(NC1N=CCS1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide?
The InChIKey is LMDUTZUZGNBCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-9(12-10-11-5-6-17-10)7-1-3-8(4-2-7)13(15)16/h1-5,10H,6H2,(H,12,14).
What are the key properties of N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide?
N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide has a molecular weight of 251.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydro-1,3-thiazol-2-yl)-4-nitrobenzamide is sourced from PubChem (CID 45146206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).