4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine

C15H20N2S — CID 43382066

IUPAC4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cccc3c2CCCC3)=N1
InChIInChI=1S/C15H20N2S/c1-2-12-10-18-15(16-12)17-14-9-5-7-11-6-3-4-8-13(11)14/h5,7,9,12H,2-4,6,8,10H2,1H3,(H,16,17)
InChIKeyISHMLHOXGUQZTO-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.86
Rot. Bonds2

About 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43382066) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43382066
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cccc3c2CCCC3)=N1
InChIInChI=1S/C15H20N2S/c1-2-12-10-18-15(16-12)17-14-9-5-7-11-6-3-4-8-13(11)14/h5,7,9,12H,2-4,6,8,10H2,1H3,(H,16,17)
InChIKeyISHMLHOXGUQZTO-UHFFFAOYSA-N
XLogP3.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43382066) is 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2cccc3c2CCCC3)=N1.
What is the InChIKey of 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ISHMLHOXGUQZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-2-12-10-18-15(16-12)17-14-9-5-7-11-6-3-4-8-13(11)14/h5,7,9,12H,2-4,6,8,10H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43382066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).