2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine

C5H6F2N2OS — CID 102769587

IUPAC2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCC(F)F)s1
InChIInChI=1S/C5H6F2N2OS/c6-3(7)2-10-5-9-1-4(8)11-5/h1,3H,2,8H2
InChIKeyYEAXMSJNHQSIRO-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.37
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine

2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine (PubChem CID 102769587) has the molecular formula C5H6F2N2OS and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine
PubChem CID102769587
Molecular FormulaC5H6F2N2OS
Molecular Weight180.18 g/mol
Exact Mass180.02
IUPAC Name2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCC(F)F)s1
InChIInChI=1S/C5H6F2N2OS/c6-3(7)2-10-5-9-1-4(8)11-5/h1,3H,2,8H2
InChIKeyYEAXMSJNHQSIRO-UHFFFAOYSA-N
XLogP1.37
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine (CID 102769587) is 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine is Nc1cnc(OCC(F)F)s1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine?
The InChIKey is YEAXMSJNHQSIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2OS/c6-3(7)2-10-5-9-1-4(8)11-5/h1,3H,2,8H2.
What are the key properties of 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine?
2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine has a molecular weight of 180.18 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1,3-thiazol-5-amine is sourced from PubChem (CID 102769587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).