2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C16H13IN2O3S — CID 38878359

IUPAC2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)COc3ccccc3I)sc2c1
InChIInChI=1S/C16H13IN2O3S/c1-21-10-6-7-12-14(8-10)23-16(18-12)19-15(20)9-22-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyYEHJGDLSJAIKHI-UHFFFAOYSA-N
MW440.26 g/mol
LogP3.93
Rot. Bonds5

About 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 38878359) has the molecular formula C16H13IN2O3S and a molecular weight of 440.26 g/mol. Its IUPAC name is 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID38878359
Molecular FormulaC16H13IN2O3S
Molecular Weight440.26 g/mol
Exact Mass439.97
IUPAC Name2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)COc3ccccc3I)sc2c1
InChIInChI=1S/C16H13IN2O3S/c1-21-10-6-7-12-14(8-10)23-16(18-12)19-15(20)9-22-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,18,19,20)
InChIKeyYEHJGDLSJAIKHI-UHFFFAOYSA-N
XLogP3.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.26
LogP ≤ 53.93
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

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
CID 18854040
2-(4-fluorophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 16547554
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-phenoxyphenoxy)acetamide
CID 2347857
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19173855
2-(2-methylphenoxy)-N-(6-propoxy-1,3-benzothiazol-2-yl)acetamide
CID 19213777
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
2-(4-cyanophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 35727768
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(2-methylphenoxy)butanamide
CID 2238971
2-(2-bromophenoxy)-N-(6-butoxy-1,3-benzothiazol-2-yl)acetamide
CID 19218244
2-(2-fluorophenoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)acetamide
CID 7948442

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 38878359) is 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)COc3ccccc3I)sc2c1.
What is the InChIKey of 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is YEHJGDLSJAIKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O3S/c1-21-10-6-7-12-14(8-10)23-16(18-12)19-15(20)9-22-13-5-3-2-4-11(13)17/h2-8H,9H2,1H3,(H,18,19,20).
What are the key properties of 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 440.26 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 38878359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).