2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol

C13H9IN2OS — CID 10451635

IUPAC2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol
SMILESNc1ccc(-c2nc3ccc(O)cc3s2)cc1I
InChIInChI=1S/C13H9IN2OS/c14-9-5-7(1-3-10(9)15)13-16-11-4-2-8(17)6-12(11)18-13/h1-6,17H,15H2
InChIKeyKZMMPMKDMZFWGE-UHFFFAOYSA-N
MW368.20 g/mol
LogP3.86
Rot. Bonds1

About 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol

2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol (PubChem CID 10451635) has the molecular formula C13H9IN2OS and a molecular weight of 368.20 g/mol. Its IUPAC name is 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol
PubChem CID10451635
Molecular FormulaC13H9IN2OS
Molecular Weight368.20 g/mol
Exact Mass367.95
IUPAC Name2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol
SMILESNc1ccc(-c2nc3ccc(O)cc3s2)cc1I
InChIInChI=1S/C13H9IN2OS/c14-9-5-7(1-3-10(9)15)13-16-11-4-2-8(17)6-12(11)18-13/h1-6,17H,15H2
InChIKeyKZMMPMKDMZFWGE-UHFFFAOYSA-N
XLogP3.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol?
The IUPAC name of 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol (CID 10451635) is 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol is Nc1ccc(-c2nc3ccc(O)cc3s2)cc1I.
What is the InChIKey of 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol?
The InChIKey is KZMMPMKDMZFWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IN2OS/c14-9-5-7(1-3-10(9)15)13-16-11-4-2-8(17)6-12(11)18-13/h1-6,17H,15H2.
What are the key properties of 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol?
2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol has a molecular weight of 368.20 g/mol, XLogP of 3.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-iodophenyl)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 10451635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).