5-naphthalen-1-ylthiatriazole

C11H7N3S — CID 15121697

IUPAC5-naphthalen-1-ylthiatriazole
SMILESc1ccc2c(-c3nnns3)cccc2c1
InChIInChI=1S/C11H7N3S/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-13-14-15-11/h1-7H
InChIKeyFNQRMZNVHUVNOG-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.75
Rot. Bonds1

About 5-naphthalen-1-ylthiatriazole

5-naphthalen-1-ylthiatriazole (PubChem CID 15121697) has the molecular formula C11H7N3S and a molecular weight of 213.27 g/mol. Its IUPAC name is 5-naphthalen-1-ylthiatriazole.

Molecular Properties

Compound Name5-naphthalen-1-ylthiatriazole
PubChem CID15121697
Molecular FormulaC11H7N3S
Molecular Weight213.27 g/mol
Exact Mass213.04
IUPAC Name5-naphthalen-1-ylthiatriazole
SMILESc1ccc2c(-c3nnns3)cccc2c1
InChIInChI=1S/C11H7N3S/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-13-14-15-11/h1-7H
InChIKeyFNQRMZNVHUVNOG-UHFFFAOYSA-N
XLogP2.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole
CID 139674358
2-(3-Fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole
CID 139674360
2-(4-Fluorophenyl)-5-naphthalen-1-yl-1,3,4-thiadiazole
CID 139674361
2-Naphthalen-2-yl-5-propyl-1,3,4-thiadiazole
CID 146169739
2-Naphthalen-1-yl-5-propyl-1,3,4-thiadiazole
CID 166447384
2-Chloro-5-(4-fluoronaphthalen-1-yl)-1,3,4-thiadiazole
CID 105601939
2-Bromo-5-(4-fluoronaphthalen-1-yl)-1,3,4-thiadiazole
CID 105601940
2-(4-Fluoronaphthalen-1-yl)-5-iodo-1,3,4-thiadiazole
CID 105601941
5-(2,4,6-Trimethylphenyl)thiatriazole
CID 15121694
2-Naphthalen-2-yl-5-propan-2-yl-1,3,4-thiadiazole
CID 18340618
2-Methylsulfanyl-5-naphthalen-2-yl-[1,3,4]thiadiazole
CID 18707479
2,5-Dinaphthalen-1-yl-1,3,4-thiadiazole
CID 21917990

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-ylthiatriazole?
The IUPAC name of 5-naphthalen-1-ylthiatriazole (CID 15121697) is 5-naphthalen-1-ylthiatriazole.
What is the SMILES notation for 5-naphthalen-1-ylthiatriazole?
The canonical SMILES for 5-naphthalen-1-ylthiatriazole is c1ccc2c(-c3nnns3)cccc2c1.
What is the InChIKey of 5-naphthalen-1-ylthiatriazole?
The InChIKey is FNQRMZNVHUVNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3S/c1-2-6-9-8(4-1)5-3-7-10(9)11-12-13-14-15-11/h1-7H.
What are the key properties of 5-naphthalen-1-ylthiatriazole?
5-naphthalen-1-ylthiatriazole has a molecular weight of 213.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-ylthiatriazole is sourced from PubChem (CID 15121697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).