2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide

C16H12ClIN2O3S — CID 5023943

IUPAC2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide
SMILESCOc1cc(OC)c2nc(NC(=O)c3cc(I)ccc3Cl)sc2c1
InChIInChI=1S/C16H12ClIN2O3S/c1-22-9-6-12(23-2)14-13(7-9)24-16(19-14)20-15(21)10-5-8(18)3-4-11(10)17/h3-7H,1-2H3,(H,19,20,21)
InChIKeyGOXFDDSDMWLOIF-UHFFFAOYSA-N
MW474.71 g/mol
LogP4.82
Rot. Bonds4

About 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide

2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide (PubChem CID 5023943) has the molecular formula C16H12ClIN2O3S and a molecular weight of 474.71 g/mol. Its IUPAC name is 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide
PubChem CID5023943
Molecular FormulaC16H12ClIN2O3S
Molecular Weight474.71 g/mol
Exact Mass473.93
IUPAC Name2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide
SMILESCOc1cc(OC)c2nc(NC(=O)c3cc(I)ccc3Cl)sc2c1
InChIInChI=1S/C16H12ClIN2O3S/c1-22-9-6-12(23-2)14-13(7-9)24-16(19-14)20-15(21)10-5-8(18)3-4-11(10)17/h3-7H,1-2H3,(H,19,20,21)
InChIKeyGOXFDDSDMWLOIF-UHFFFAOYSA-N
XLogP4.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.71
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 3315557
5-bromo-2-chloro-N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 3309801
2-chloro-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5218207
N-(4-chloro-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 2037986
2,4-dimethoxy-N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 17177149
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide
CID 3297361
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-(4,6-dichloro-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 40885043
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4621786
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 3324697
2-(4-chloro-2-methylphenoxy)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3301684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide?
The IUPAC name of 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide (CID 5023943) is 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide.
What is the SMILES notation for 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide?
The canonical SMILES for 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide is COc1cc(OC)c2nc(NC(=O)c3cc(I)ccc3Cl)sc2c1.
What is the InChIKey of 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide?
The InChIKey is GOXFDDSDMWLOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClIN2O3S/c1-22-9-6-12(23-2)14-13(7-9)24-16(19-14)20-15(21)10-5-8(18)3-4-11(10)17/h3-7H,1-2H3,(H,19,20,21).
What are the key properties of 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide?
2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide has a molecular weight of 474.71 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide is sourced from PubChem (CID 5023943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).