N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide

C15H11IN2OS — CID 34247695

IUPACN-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1I)c1nc2ccccc2s1
InChIInChI=1S/C15H11IN2OS/c1-18(14(19)10-6-2-3-7-11(10)16)15-17-12-8-4-5-9-13(12)20-15/h2-9H,1H3
InChIKeyOZYDGJDSMSOPHJ-UHFFFAOYSA-N
MW394.24 g/mol
LogP4.18
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide

N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide (PubChem CID 34247695) has the molecular formula C15H11IN2OS and a molecular weight of 394.24 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
PubChem CID34247695
Molecular FormulaC15H11IN2OS
Molecular Weight394.24 g/mol
Exact Mass393.96
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1I)c1nc2ccccc2s1
InChIInChI=1S/C15H11IN2OS/c1-18(14(19)10-6-2-3-7-11(10)16)15-17-12-8-4-5-9-13(12)20-15/h2-9H,1H3
InChIKeyOZYDGJDSMSOPHJ-UHFFFAOYSA-N
XLogP4.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200
N-(1,3-benzothiazol-2-yl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 34255200
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-N-methylbenzamide
CID 17470701
N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41344324
N-(1,3-benzothiazol-2-yl)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 34261151
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 41347113
methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamodithioate
CID 804828
N-(1,3-benzothiazol-2-yl)-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17492594
2-iodo-N-methyl-N-(4-oxo-3,1-benzoxazin-2-yl)benzamide
CID 19030608
N-[2-(dimethylamino)ethyl]-2-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41343708
N-(1,3-benzothiazol-2-yl)-N-methyl-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide
CID 34254494
N-(1,3-benzothiazol-2-yl)-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34249854

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide (CID 34247695) is N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide is CN(C(=O)c1ccccc1I)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide?
The InChIKey is OZYDGJDSMSOPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2OS/c1-18(14(19)10-6-2-3-7-11(10)16)15-17-12-8-4-5-9-13(12)20-15/h2-9H,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide?
N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide has a molecular weight of 394.24 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-iodo-N-methylbenzamide is sourced from PubChem (CID 34247695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).