2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C16H17N3S — CID 19209802

IUPAC2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1
InChIInChI=1S/C16H17N3S/c1-2-15-18-19-10-14(17-16(19)20-15)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,2-6H2,1H3
InChIKeyCFPTXFQTHCFIQM-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.90
Rot. Bonds2

About 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 19209802) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID19209802
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCCc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1
InChIInChI=1S/C16H17N3S/c1-2-15-18-19-10-14(17-16(19)20-15)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,2-6H2,1H3
InChIKeyCFPTXFQTHCFIQM-UHFFFAOYSA-N
XLogP3.90
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 19209802) is 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is CCc1nn2cc(-c3ccc4c(c3)CCCC4)nc2s1.
What is the InChIKey of 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is CFPTXFQTHCFIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-15-18-19-10-14(17-16(19)20-15)13-8-7-11-5-3-4-6-12(11)9-13/h7-10H,2-6H2,1H3.
What are the key properties of 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 283.40 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 19209802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).