N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine

C13H8FIN2S — CID 123926490

IUPACN-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine
SMILESFc1cc(I)ccc1Nc1cccc2sncc12
InChIInChI=1S/C13H8FIN2S/c14-10-6-8(15)4-5-12(10)17-11-2-1-3-13-9(11)7-16-18-13/h1-7,17H
InChIKeyCJHKBLWQRGWCLC-UHFFFAOYSA-N
MW370.19 g/mol
LogP4.78
Rot. Bonds2

About N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine

N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine (PubChem CID 123926490) has the molecular formula C13H8FIN2S and a molecular weight of 370.19 g/mol. Its IUPAC name is N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine
PubChem CID123926490
Molecular FormulaC13H8FIN2S
Molecular Weight370.19 g/mol
Exact Mass369.94
IUPAC NameN-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine
SMILESFc1cc(I)ccc1Nc1cccc2sncc12
InChIInChI=1S/C13H8FIN2S/c14-10-6-8(15)4-5-12(10)17-11-2-1-3-13-9(11)7-16-18-13/h1-7,17H
InChIKeyCJHKBLWQRGWCLC-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.19
LogP ≤ 54.78
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

2,3-difluoro-N-(4-iodo-2-methylphenyl)-6-(1,2-thiazol-5-yl)aniline
CID 140449319
2,3,4-trifluoro-N-(4-iodo-2-methylphenyl)-6-(1,2-thiazol-5-yl)aniline
CID 140449321
N-[1-(2-fluorophenyl)ethyl]-1,2-benzothiazol-5-amine
CID 154866245
Benzo[d]isothiazol-4-amine
CID 19804576
N-[1-(1-azabicyclo[2.2.2]octan-3-yl)ethenyl]-1,2-benzothiazol-4-amine
CID 59797448
N-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-1,2-benzothiazol-4-amine
CID 59797486
4-Piperidin-1-yl-1,2-benzothiazole
CID 70352998
4-Piperazin-1-yl-1,2-benzothiazole
CID 82392882
N-ethyl-3-methyl-1,2-benzothiazol-4-amine
CID 164056428
N-propan-2-yl-1,2-benzothiazol-6-amine
CID 167253708
N,5-dimethyl-1,2-benzothiazol-4-amine
CID 169917942
N-[(4-bromophenyl)methyl]-1,2-benzothiazol-4-amine
CID 171525831

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine?
The IUPAC name of N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine (CID 123926490) is N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine.
What is the SMILES notation for N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine?
The canonical SMILES for N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine is Fc1cc(I)ccc1Nc1cccc2sncc12.
What is the InChIKey of N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine?
The InChIKey is CJHKBLWQRGWCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN2S/c14-10-6-8(15)4-5-12(10)17-11-2-1-3-13-9(11)7-16-18-13/h1-7,17H.
What are the key properties of N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine?
N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine has a molecular weight of 370.19 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-iodophenyl)-1,2-benzothiazol-4-amine is sourced from PubChem (CID 123926490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).