2-anthracen-2-yloxy-1,3-thiazole

C17H11NOS — CID 91165429

IUPAC2-anthracen-2-yloxy-1,3-thiazole
SMILESc1ccc2cc3cc(Oc4nccs4)ccc3cc2c1
InChIInChI=1S/C17H11NOS/c1-2-4-13-10-15-11-16(19-17-18-7-8-20-17)6-5-14(15)9-12(13)3-1/h1-11H
InChIKeyUXEAGWXIIDKWJS-UHFFFAOYSA-N
MW277.35 g/mol
LogP5.24
Rot. Bonds2

About 2-anthracen-2-yloxy-1,3-thiazole

2-anthracen-2-yloxy-1,3-thiazole (PubChem CID 91165429) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-anthracen-2-yloxy-1,3-thiazole.

Molecular Properties

Compound Name2-anthracen-2-yloxy-1,3-thiazole
PubChem CID91165429
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name2-anthracen-2-yloxy-1,3-thiazole
SMILESc1ccc2cc3cc(Oc4nccs4)ccc3cc2c1
InChIInChI=1S/C17H11NOS/c1-2-4-13-10-15-11-16(19-17-18-7-8-20-17)6-5-14(15)9-12(13)3-1/h1-11H
InChIKeyUXEAGWXIIDKWJS-UHFFFAOYSA-N
XLogP5.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.35
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-anthracen-2-yloxy-1,3-thiazole 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

2-(1-Methoxy-1-(3-(2-naphthalenylmethoxy)phenyl)propyl)thiazole
CID 164272
2-{1-Methoxy-1-[3-(naphthalen-2-yloxymethyl)-phenyl]-propyl}-thiazole
CID 10362915
2-{Methoxy-[3-(naphthalen-2-ylmethoxy)-phenyl]-methyl}-thiazole
CID 15050004
2-{1-Methoxy-1-[3-(naphthalen-2-ylmethoxy)-phenyl]-ethyl}-thiazole
CID 15050005
1-[(E)-2-(1,3-thiazol-2-yl)ethenyl]naphthalen-2-ol
CID 168274477
2-[6-(Naphthalen-2-ylmethoxy)-indan-1-yl]-thiazole
CID 15049985
2-{1-Methoxy-1-[4-(naphthalen-2-ylmethoxy)-phenyl]-propyl}-thiazole
CID 15050007
2-{1-Methoxy-1-[2-methyl-5-(naphthalen-2-ylmethoxy)-phenyl]-ethyl}-thiazole
CID 15050015
2-(p-Benzylphenoxy)thiazole
CID 3016384
2-[3-[3-Fluoro-5-(naphthalen-2-ylmethoxy)phenyl]pentan-3-yl]-1,3-thiazole
CID 15341169
2-[(Z)-1-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenyl]prop-1-enyl]-1,3-thiazole
CID 22406588
2-[1-[3-Fluoro-5-(naphthalen-2-ylmethoxy)phenyl]propyl]-1,3-thiazole
CID 22406602

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-2-yloxy-1,3-thiazole?
The IUPAC name of 2-anthracen-2-yloxy-1,3-thiazole (CID 91165429) is 2-anthracen-2-yloxy-1,3-thiazole.
What is the SMILES notation for 2-anthracen-2-yloxy-1,3-thiazole?
The canonical SMILES for 2-anthracen-2-yloxy-1,3-thiazole is c1ccc2cc3cc(Oc4nccs4)ccc3cc2c1.
What is the InChIKey of 2-anthracen-2-yloxy-1,3-thiazole?
The InChIKey is UXEAGWXIIDKWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c1-2-4-13-10-15-11-16(19-17-18-7-8-20-17)6-5-14(15)9-12(13)3-1/h1-11H.
What are the key properties of 2-anthracen-2-yloxy-1,3-thiazole?
2-anthracen-2-yloxy-1,3-thiazole has a molecular weight of 277.35 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-2-yloxy-1,3-thiazole is sourced from PubChem (CID 91165429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).