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

C11H9N3O4S — CID 11550881

IUPAC2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(O)c1
InChIInChI=1S/C11H9N3O4S/c1-6-2-3-7(8(15)4-6)10(16)13-11-12-5-9(19-11)14(17)18/h2-5,15H,1H3,(H,12,13,16)
InChIKeyMWKOYFHJKQDWSY-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.32
Rot. Bonds3

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

2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 11550881) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID11550881
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(O)c1
InChIInChI=1S/C11H9N3O4S/c1-6-2-3-7(8(15)4-6)10(16)13-11-12-5-9(19-11)14(17)18/h2-5,15H,1H3,(H,12,13,16)
InChIKeyMWKOYFHJKQDWSY-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

Nitazoxanide
CID 41684
Tizoxanide
CID 394397
N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide
CID 11681176
2-hydroxy-3-methyl-N-(5-nitrothiazol-2-yl)benzamide
CID 11956388
N-(5-bromothiazol-2-yl)-2-hydroxy-benzamide
CID 24757917
N-(5-Chlorothiazol-2-yl)-2-hydroxybenzamide
CID 49771640
N-(5-chlorothiazol-2-yl)-2-hydroxy-4-methyl-benzamide
CID 49771643
Ethyl [2-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054
2-hydroxy-5-methyl-N-(5-nitrothiazol-2-yl)benzamide
CID 11587226
2-hydroxy-3-methoxy-N-(5-nitrothiazol-2-yl)benzamide
CID 11601774
[2-Methyl-6-[(5-nitrothiazol-2-yl)carbamoyl]phenyl] acetate
CID 11645459
2-hydroxy-N-(5-methylthiazol-2-yl)benzamide
CID 16580102

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 11550881) is 2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is MWKOYFHJKQDWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c1-6-2-3-7(8(15)4-6)10(16)13-11-12-5-9(19-11)14(17)18/h2-5,15H,1H3,(H,12,13,16).
What are the key properties of 2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide 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 2-hydroxy-4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 11550881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).