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

C11H9IN2OS — CID 2116508

IUPAC3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cccc(I)c2)s1
InChIInChI=1S/C11H9IN2OS/c1-7-6-13-11(16-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
InChIKeyCGBRZGWWQHFSQI-UHFFFAOYSA-N
MW344.18 g/mol
LogP3.31
Rot. Bonds2

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

3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 2116508) has the molecular formula C11H9IN2OS and a molecular weight of 344.18 g/mol. Its IUPAC name is 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID2116508
Molecular FormulaC11H9IN2OS
Molecular Weight344.18 g/mol
Exact Mass343.95
IUPAC Name3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cccc(I)c2)s1
InChIInChI=1S/C11H9IN2OS/c1-7-6-13-11(16-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15)
InChIKeyCGBRZGWWQHFSQI-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63212388
2-benzamido-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35935216
3-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2122297
3,4-dimethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2109069
N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 52730864
N-(5-methyl-1,3-thiazol-2-yl)-3-(propylsulfamoyl)benzamide
CID 17484062
4-hydrazinyl-3-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 63211746
4-bromo-3-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47421860
3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47366046
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-iodobenzamide
CID 3318366
6-bromo-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 66463454
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 35324251

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 2116508) is 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2cccc(I)c2)s1.
What is the InChIKey of 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is CGBRZGWWQHFSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9IN2OS/c1-7-6-13-11(16-7)14-10(15)8-3-2-4-9(12)5-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 344.18 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2116508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).