2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine

C6H4F6N2OS — CID 102769638

IUPAC2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OC(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C6H4F6N2OS/c7-5(8,9)3(6(10,11)12)15-4-14-1-2(13)16-4/h1,3H,13H2
InChIKeyHGANURXJXXGMSE-UHFFFAOYSA-N
MW266.17 g/mol
LogP2.60
Rot. Bonds2

About 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine

2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine (PubChem CID 102769638) has the molecular formula C6H4F6N2OS and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine
PubChem CID102769638
Molecular FormulaC6H4F6N2OS
Molecular Weight266.17 g/mol
Exact Mass265.99
IUPAC Name2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OC(C(F)(F)F)C(F)(F)F)s1
InChIInChI=1S/C6H4F6N2OS/c7-5(8,9)3(6(10,11)12)15-4-14-1-2(13)16-4/h1,3H,13H2
InChIKeyHGANURXJXXGMSE-UHFFFAOYSA-N
XLogP2.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine?
The IUPAC name of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine (CID 102769638) is 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine is Nc1cnc(OC(C(F)(F)F)C(F)(F)F)s1.
What is the InChIKey of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine?
The InChIKey is HGANURXJXXGMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6N2OS/c7-5(8,9)3(6(10,11)12)15-4-14-1-2(13)16-4/h1,3H,13H2.
What are the key properties of 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine?
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine has a molecular weight of 266.17 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine is sourced from PubChem (CID 102769638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).