N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide

C19H19FIN3OS — CID 41347113

IUPACN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
SMILESCN(C)CCCN(C(=O)c1ccccc1I)c1nc2ccc(F)cc2s1
InChIInChI=1S/C19H19FIN3OS/c1-23(2)10-5-11-24(18(25)14-6-3-4-7-15(14)21)19-22-16-9-8-13(20)12-17(16)26-19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyFANMUSBDNBGDAC-UHFFFAOYSA-N
MW483.35 g/mol
LogP4.64
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide

N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide (PubChem CID 41347113) has the molecular formula C19H19FIN3OS and a molecular weight of 483.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
PubChem CID41347113
Molecular FormulaC19H19FIN3OS
Molecular Weight483.35 g/mol
Exact Mass483.03
IUPAC NameN-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
SMILESCN(C)CCCN(C(=O)c1ccccc1I)c1nc2ccc(F)cc2s1
InChIInChI=1S/C19H19FIN3OS/c1-23(2)10-5-11-24(18(25)14-6-3-4-7-15(14)21)19-22-16-9-8-13(20)12-17(16)26-19/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKeyFANMUSBDNBGDAC-UHFFFAOYSA-N
XLogP4.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7208614
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodo-N-(3-morpholin-4-ylpropyl)benzamide
CID 43999114
2,4-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41347067
5-bromo-2-chloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43964698
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43964992
N-[3-(dimethylamino)propyl]-3,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 43964432
4-acetyl-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16808644
3,5-dichloro-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41347064
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
CID 78494418
N-[3-(dimethylamino)propyl]-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44929609
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide;hydrochloride
CID 44929835
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methoxybenzamide;hydrochloride
CID 16799034

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide (CID 41347113) is N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide is CN(C)CCCN(C(=O)c1ccccc1I)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide?
The InChIKey is FANMUSBDNBGDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FIN3OS/c1-23(2)10-5-11-24(18(25)14-6-3-4-7-15(14)21)19-22-16-9-8-13(20)12-17(16)26-19/h3-4,6-9,12H,5,10-11H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide?
N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide has a molecular weight of 483.35 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide is sourced from PubChem (CID 41347113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).