3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine

C15H15N3S — CID 82488001

IUPAC3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine
SMILESNc1ncc2scc(-c3ccc4c(c3)CCCC4)n12
InChIInChI=1S/C15H15N3S/c16-15-17-8-14-18(15)13(9-19-14)12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4H2,(H2,16,17)
InChIKeyAOKQTTDVJPWSSH-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.52
Rot. Bonds1

About 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine

3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine (PubChem CID 82488001) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine
PubChem CID82488001
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine
SMILESNc1ncc2scc(-c3ccc4c(c3)CCCC4)n12
InChIInChI=1S/C15H15N3S/c16-15-17-8-14-18(15)13(9-19-14)12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4H2,(H2,16,17)
InChIKeyAOKQTTDVJPWSSH-UHFFFAOYSA-N
XLogP3.52
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine?
The IUPAC name of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine (CID 82488001) is 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine is Nc1ncc2scc(-c3ccc4c(c3)CCCC4)n12.
What is the InChIKey of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine?
The InChIKey is AOKQTTDVJPWSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c16-15-17-8-14-18(15)13(9-19-14)12-6-5-10-3-1-2-4-11(10)7-12/h5-9H,1-4H2,(H2,16,17).
What are the key properties of 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine?
3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine has a molecular weight of 269.37 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[5,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 82488001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).