2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C15H11IN2O2S — CID 103602080

IUPAC2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cc(I)ccc3O)sc2c1
InChIInChI=1S/C15H11IN2O2S/c1-8-2-4-11-13(6-8)21-15(17-11)18-14(20)10-7-9(16)3-5-12(10)19/h2-7,19H,1H3,(H,17,18,20)
InChIKeyNEBFVYVJYYJAKK-UHFFFAOYSA-N
MW410.24 g/mol
LogP4.17
Rot. Bonds2

About 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 103602080) has the molecular formula C15H11IN2O2S and a molecular weight of 410.24 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID103602080
Molecular FormulaC15H11IN2O2S
Molecular Weight410.24 g/mol
Exact Mass409.96
IUPAC Name2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3cc(I)ccc3O)sc2c1
InChIInChI=1S/C15H11IN2O2S/c1-8-2-4-11-13(6-8)21-15(17-11)18-14(20)10-7-9(16)3-5-12(10)19/h2-7,19H,1H3,(H,17,18,20)
InChIKeyNEBFVYVJYYJAKK-UHFFFAOYSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.24
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-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

2,5-dihydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103687616
2-fluoro-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 79765196
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
6-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 31809959
2-chloro-4,5-difluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701477
2-hydroxy-5-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 37018478
N-(6-amino-1,3-benzothiazol-2-yl)-2,5-dihydroxybenzamide
CID 107721354
4-(methylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 81237659
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
3-iodo-N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 5134910
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 103602080) is 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3cc(I)ccc3O)sc2c1.
What is the InChIKey of 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is NEBFVYVJYYJAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O2S/c1-8-2-4-11-13(6-8)21-15(17-11)18-14(20)10-7-9(16)3-5-12(10)19/h2-7,19H,1H3,(H,17,18,20).
What are the key properties of 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 410.24 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 103602080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).