5-anthracen-1-ylthiadiazole

C16H10N2S — CID 173144135

IUPAC5-anthracen-1-ylthiadiazole
SMILESc1ccc2cc3c(-c4cnns4)cccc3cc2c1
InChIInChI=1S/C16H10N2S/c1-2-5-12-9-15-13(8-11(12)4-1)6-3-7-14(15)16-10-17-18-19-16/h1-10H
InChIKeyIIGDQCHDQDPZOQ-UHFFFAOYSA-N
MW262.34 g/mol
LogP4.51
Rot. Bonds1

About 5-anthracen-1-ylthiadiazole

5-anthracen-1-ylthiadiazole (PubChem CID 173144135) has the molecular formula C16H10N2S and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-anthracen-1-ylthiadiazole.

Molecular Properties

Compound Name5-anthracen-1-ylthiadiazole
PubChem CID173144135
Molecular FormulaC16H10N2S
Molecular Weight262.34 g/mol
Exact Mass262.06
IUPAC Name5-anthracen-1-ylthiadiazole
SMILESc1ccc2cc3c(-c4cnns4)cccc3cc2c1
InChIInChI=1S/C16H10N2S/c1-2-5-12-9-15-13(8-11(12)4-1)6-3-7-14(15)16-10-17-18-19-16/h1-10H
InChIKeyIIGDQCHDQDPZOQ-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-anthracen-1-yloxadiazole
CID 173144030
4-anthracen-1-yl-1H-pyrazole
CID 91120049
9,10-di(anthracen-1-yl)anthracene
CID 58645093
1-(2-phenylphenyl)anthracene
CID 21435778
hydron;1-phenylanthracene
CID 174351162
5-anthracen-1-ylbenzo[a]anthracene
CID 123576317
2-anthracen-1-yl-1,3,5-triazine
CID 87717818
4-anthracen-1-yl-5-phenyltriazine
CID 172686741
1-tetracen-5-yltetracene
CID 91610936
1-(4-bromophenyl)anthracene
CID 141156344
4-anthracen-1-ylaniline
CID 18974595
1-(2,6-dimethylphenyl)pentacene
CID 163989342

Frequently Asked Questions

What is the IUPAC name of 5-anthracen-1-ylthiadiazole?
The IUPAC name of 5-anthracen-1-ylthiadiazole (CID 173144135) is 5-anthracen-1-ylthiadiazole.
What is the SMILES notation for 5-anthracen-1-ylthiadiazole?
The canonical SMILES for 5-anthracen-1-ylthiadiazole is c1ccc2cc3c(-c4cnns4)cccc3cc2c1.
What is the InChIKey of 5-anthracen-1-ylthiadiazole?
The InChIKey is IIGDQCHDQDPZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2S/c1-2-5-12-9-15-13(8-11(12)4-1)6-3-7-14(15)16-10-17-18-19-16/h1-10H.
What are the key properties of 5-anthracen-1-ylthiadiazole?
5-anthracen-1-ylthiadiazole has a molecular weight of 262.34 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anthracen-1-ylthiadiazole is sourced from PubChem (CID 173144135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).