1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine

C13H20N2OS — CID 79915653

IUPAC1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine
SMILESCC1(C)OC(C)(C)c2sc(C3(N)CCC3)nc21
InChIInChI=1S/C13H20N2OS/c1-11(2)8-9(12(3,4)16-11)17-10(15-8)13(14)6-5-7-13/h5-7,14H2,1-4H3
InChIKeyVYFINNQMPWVJIK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.98
Rot. Bonds1

About 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine

1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine (PubChem CID 79915653) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine
PubChem CID79915653
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine
SMILESCC1(C)OC(C)(C)c2sc(C3(N)CCC3)nc21
InChIInChI=1S/C13H20N2OS/c1-11(2)8-9(12(3,4)16-11)17-10(15-8)13(14)6-5-7-13/h5-7,14H2,1-4H3
InChIKeyVYFINNQMPWVJIK-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine?
The IUPAC name of 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine (CID 79915653) is 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine?
The canonical SMILES for 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine is CC1(C)OC(C)(C)c2sc(C3(N)CCC3)nc21.
What is the InChIKey of 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine?
The InChIKey is VYFINNQMPWVJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-11(2)8-9(12(3,4)16-11)17-10(15-8)13(14)6-5-7-13/h5-7,14H2,1-4H3.
What are the key properties of 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine?
1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine has a molecular weight of 252.38 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 79915653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).