2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane

C15H20N4S — CID 145049338

IUPAC2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane
SMILESCC.Nc1csc(-c2ccc(N3CC4CC4C3)nc2)n1
InChIInChI=1S/C13H14N4S.C2H6/c14-11-7-18-13(16-11)8-1-2-12(15-4-8)17-5-9-3-10(9)6-17;1-2/h1-2,4,7,9-10H,3,5-6,14H2;1-2H3
InChIKeyQMYARFMALJZFHC-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.27
Rot. Bonds2

About 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane

2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane (PubChem CID 145049338) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane.

Molecular Properties

Compound Name2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane
PubChem CID145049338
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane
SMILESCC.Nc1csc(-c2ccc(N3CC4CC4C3)nc2)n1
InChIInChI=1S/C13H14N4S.C2H6/c14-11-7-18-13(16-11)8-1-2-12(15-4-8)17-5-9-3-10(9)6-17;1-2/h1-2,4,7,9-10H,3,5-6,14H2;1-2H3
InChIKeyQMYARFMALJZFHC-UHFFFAOYSA-N
XLogP3.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane?
The IUPAC name of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane (CID 145049338) is 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane.
What is the SMILES notation for 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane?
The canonical SMILES for 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane is CC.Nc1csc(-c2ccc(N3CC4CC4C3)nc2)n1.
What is the InChIKey of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane?
The InChIKey is QMYARFMALJZFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S.C2H6/c14-11-7-18-13(16-11)8-1-2-12(15-4-8)17-5-9-3-10(9)6-17;1-2/h1-2,4,7,9-10H,3,5-6,14H2;1-2H3.
What are the key properties of 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane?
2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane has a molecular weight of 288.42 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-amine;ethane is sourced from PubChem (CID 145049338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).