2-[(3-iodophenoxy)methyl]-1,3-benzothiazole

C14H10INOS — CID 113218110

IUPAC2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
SMILESIc1cccc(OCc2nc3ccccc3s2)c1
InChIInChI=1S/C14H10INOS/c15-10-4-3-5-11(8-10)17-9-14-16-12-6-1-2-7-13(12)18-14/h1-8H,9H2
InChIKeyUCMKVLBYVIAUFN-UHFFFAOYSA-N
MW367.21 g/mol
LogP4.48
Rot. Bonds3

About 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole

2-[(3-iodophenoxy)methyl]-1,3-benzothiazole (PubChem CID 113218110) has the molecular formula C14H10INOS and a molecular weight of 367.21 g/mol. Its IUPAC name is 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
PubChem CID113218110
Molecular FormulaC14H10INOS
Molecular Weight367.21 g/mol
Exact Mass366.95
IUPAC Name2-[(3-iodophenoxy)methyl]-1,3-benzothiazole
SMILESIc1cccc(OCc2nc3ccccc3s2)c1
InChIInChI=1S/C14H10INOS/c15-10-4-3-5-11(8-10)17-9-14-16-12-6-1-2-7-13(12)18-14/h1-8H,9H2
InChIKeyUCMKVLBYVIAUFN-UHFFFAOYSA-N
XLogP4.48
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630920
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
2-[[4-(6-methyl-2-pyridinyl)phenoxy]methyl]-1,3-benzothiazole
CID 139801734
1,3-benzothiazol-2-ylmethyl 3-phenylmethoxybenzoate
CID 7240035
2-[[4-(1,3-thiazol-4-yl)phenoxy]methyl]-1,3-benzothiazole
CID 139801893
[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]hydrazine
CID 139801727
2-[[4-(2-methylpropoxy)phenoxy]methyl]-1,3-benzothiazole
CID 72705954
7-(1,3-benzothiazol-2-ylmethoxy)chromen-2-one
CID 2705029
5-[(3-iodophenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80608771
2-[(3-iodophenoxy)methyl]-5-methyl-1,3,4-thiadiazole
CID 164653697
4-(1,3-benzothiazol-2-ylmethoxy)-2-chlorobenzenecarbothioamide
CID 102724262
5-(1,3-benzothiazol-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 104986102

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole?
The IUPAC name of 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole (CID 113218110) is 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole is Ic1cccc(OCc2nc3ccccc3s2)c1.
What is the InChIKey of 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole?
The InChIKey is UCMKVLBYVIAUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10INOS/c15-10-4-3-5-11(8-10)17-9-14-16-12-6-1-2-7-13(12)18-14/h1-8H,9H2.
What are the key properties of 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole?
2-[(3-iodophenoxy)methyl]-1,3-benzothiazole has a molecular weight of 367.21 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodophenoxy)methyl]-1,3-benzothiazole is sourced from PubChem (CID 113218110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).