2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide

C12H11N3O4S — CID 86797945

IUPAC2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCN(Cc1cscn1)C(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H11N3O4S/c1-14(5-8-6-20-7-13-8)12(17)10-3-2-9(15(18)19)4-11(10)16/h2-4,6-7,16H,5H2,1H3
InChIKeyFBXRMVHUSGAZLB-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.03
Rot. Bonds4

About 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide

2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 86797945) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID86797945
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCN(Cc1cscn1)C(=O)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C12H11N3O4S/c1-14(5-8-6-20-7-13-8)12(17)10-3-2-9(15(18)19)4-11(10)16/h2-4,6-7,16H,5H2,1H3
InChIKeyFBXRMVHUSGAZLB-UHFFFAOYSA-N
XLogP2.03
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.03
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

2,3-dichloro-N-methyl-5-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107188640
2,5-difluoro-N-methyl-3-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107121992
2-hydroxy-N-methyl-N-(2-methylprop-2-enyl)-4-nitrobenzamide
CID 86798485
2-hydroxy-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 54990504
2-chloro-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346153
N-ethyl-2-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-4-nitroaniline
CID 62181919
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
CID 106853803
3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107872599
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 75504350
2-fluoro-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63823726

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 86797945) is 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide is CN(Cc1cscn1)C(=O)c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is FBXRMVHUSGAZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c1-14(5-8-6-20-7-13-8)12(17)10-3-2-9(15(18)19)4-11(10)16/h2-4,6-7,16H,5H2,1H3.
What are the key properties of 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide?
2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 293.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-4-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 86797945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).