5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide

C11H10IN3O3S — CID 59104321

IUPAC5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(NOO)ccc2I)n1
InChIInChI=1S/C11H10IN3O3S/c1-6-5-19-11(13-6)14-10(16)8-4-7(15-18-17)2-3-9(8)12/h2-5,15,17H,1H3,(H,13,14,16)
InChIKeyQXFMDYATOIVODO-UHFFFAOYSA-N
MW391.19 g/mol
LogP3.12
Rot. Bonds4

About 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide

5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 59104321) has the molecular formula C11H10IN3O3S and a molecular weight of 391.19 g/mol. Its IUPAC name is 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID59104321
Molecular FormulaC11H10IN3O3S
Molecular Weight391.19 g/mol
Exact Mass390.95
IUPAC Name5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1csc(NC(=O)c2cc(NOO)ccc2I)n1
InChIInChI=1S/C11H10IN3O3S/c1-6-5-19-11(13-6)14-10(16)8-4-7(15-18-17)2-3-9(8)12/h2-5,15,17H,1H3,(H,13,14,16)
InChIKeyQXFMDYATOIVODO-UHFFFAOYSA-N
XLogP3.12
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.19
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
3-hydroxy-4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 104627766
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
2,4-diamino-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61089683
2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557524
3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
2,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrole-3-carboxamide
CID 110766253
3,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 1246749
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521

Frequently Asked Questions

What is the IUPAC name of 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide (CID 59104321) is 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide is Cc1csc(NC(=O)c2cc(NOO)ccc2I)n1.
What is the InChIKey of 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QXFMDYATOIVODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O3S/c1-6-5-19-11(13-6)14-10(16)8-4-7(15-18-17)2-3-9(8)12/h2-5,15,17H,1H3,(H,13,14,16).
What are the key properties of 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide?
5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 391.19 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroperoxyamino)-2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59104321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).