3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide

C11H9N3O4S — CID 37018543

IUPAC3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
SMILESCc1csc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1
InChIInChI=1S/C11H9N3O4S/c1-6-5-19-11(12-6)13-10(16)7-2-3-8(14(17)18)9(15)4-7/h2-5,15H,1H3,(H,12,13,16)
InChIKeyNVXWFVJNQLYOGP-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.32
Rot. Bonds3

About 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide

3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide (PubChem CID 37018543) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
PubChem CID37018543
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
SMILESCc1csc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1
InChIInChI=1S/C11H9N3O4S/c1-6-5-19-11(12-6)13-10(16)7-2-3-8(14(17)18)9(15)4-7/h2-5,15H,1H3,(H,12,13,16)
InChIKeyNVXWFVJNQLYOGP-UHFFFAOYSA-N
XLogP2.32
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
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-(ethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide
CID 26362764
3-hydroxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 103712002
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
3-hydroxy-4-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29370606
N-(4-methyl-1,3-thiazol-2-yl)-2-nitrobenzamide
CID 902953
N-(4-methyl-1,3-thiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide
CID 26362821
3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 107076246
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide?
The IUPAC name of 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide (CID 37018543) is 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide.
What is the SMILES notation for 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide?
The canonical SMILES for 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide is Cc1csc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1.
What is the InChIKey of 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide?
The InChIKey is NVXWFVJNQLYOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c1-6-5-19-11(12-6)13-10(16)7-2-3-8(14(17)18)9(15)4-7/h2-5,15H,1H3,(H,12,13,16).
What are the key properties of 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide?
3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide has a molecular weight of 279.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide is sourced from PubChem (CID 37018543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).