7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine

C13H8ClIN2S — CID 43305001

IUPAC7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine
SMILESClc1cccc2nc(Nc3ccccc3I)sc12
InChIInChI=1S/C13H8ClIN2S/c14-8-4-3-7-11-12(8)18-13(17-11)16-10-6-2-1-5-9(10)15/h1-7H,(H,16,17)
InChIKeyIVEJQYFQXWSPRO-UHFFFAOYSA-N
MW386.65 g/mol
LogP5.30
Rot. Bonds2

About 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine

7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine (PubChem CID 43305001) has the molecular formula C13H8ClIN2S and a molecular weight of 386.65 g/mol. Its IUPAC name is 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine
PubChem CID43305001
Molecular FormulaC13H8ClIN2S
Molecular Weight386.65 g/mol
Exact Mass385.91
IUPAC Name7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine
SMILESClc1cccc2nc(Nc3ccccc3I)sc12
InChIInChI=1S/C13H8ClIN2S/c14-8-4-3-7-11-12(8)18-13(17-11)16-10-6-2-1-5-9(10)15/h1-7H,(H,16,17)
InChIKeyIVEJQYFQXWSPRO-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.65
LogP ≤ 55.30
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

7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
CID 107637503
3-chloro-4-[(7-chloro-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107809136
7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
CID 107645443
2,6-dichloro-N-(2-iodophenyl)aniline
CID 175620459
N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 28832810
7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306686
7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 104834035

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine (CID 43305001) is 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine is Clc1cccc2nc(Nc3ccccc3I)sc12.
What is the InChIKey of 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is IVEJQYFQXWSPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClIN2S/c14-8-4-3-7-11-12(8)18-13(17-11)16-10-6-2-1-5-9(10)15/h1-7H,(H,16,17).
What are the key properties of 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine has a molecular weight of 386.65 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43305001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).