4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine

C14H15N3OS — CID 154668496

IUPAC4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(C34CCOCC3C4)n2)cs1
InChIInChI=1S/C14H15N3OS/c15-13-17-11(8-19-13)10-2-1-3-12(16-10)14-4-5-18-7-9(14)6-14/h1-3,8-9H,4-7H2,(H2,15,17)
InChIKeyXPEQDWPFRDUVJP-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.47
Rot. Bonds2

About 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine

4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 154668496) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID154668496
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccc(C34CCOCC3C4)n2)cs1
InChIInChI=1S/C14H15N3OS/c15-13-17-11(8-19-13)10-2-1-3-12(16-10)14-4-5-18-7-9(14)6-14/h1-3,8-9H,4-7H2,(H2,15,17)
InChIKeyXPEQDWPFRDUVJP-UHFFFAOYSA-N
XLogP2.47
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine (CID 154668496) is 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine is Nc1nc(-c2cccc(C34CCOCC3C4)n2)cs1.
What is the InChIKey of 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is XPEQDWPFRDUVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-13-17-11(8-19-13)10-2-1-3-12(16-10)14-4-5-18-7-9(14)6-14/h1-3,8-9H,4-7H2,(H2,15,17).
What are the key properties of 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine?
4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-oxabicyclo[4.1.0]heptan-6-yl)-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 154668496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).