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

C6H7F3N2OS — CID 102769599

IUPAC2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCCC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)1-2-12-5-11-3-4(10)13-5/h3H,1-2,10H2
InChIKeyWGZUIRFFWXGKJL-UHFFFAOYSA-N
MW212.20 g/mol
LogP2.06
Rot. Bonds3

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

2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine (PubChem CID 102769599) has the molecular formula C6H7F3N2OS and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine
PubChem CID102769599
Molecular FormulaC6H7F3N2OS
Molecular Weight212.20 g/mol
Exact Mass212.02
IUPAC Name2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCCC(F)(F)F)s1
InChIInChI=1S/C6H7F3N2OS/c7-6(8,9)1-2-12-5-11-3-4(10)13-5/h3H,1-2,10H2
InChIKeyWGZUIRFFWXGKJL-UHFFFAOYSA-N
XLogP2.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine?
The IUPAC name of 2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine (CID 102769599) is 2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine is Nc1cnc(OCCC(F)(F)F)s1.
What is the InChIKey of 2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine?
The InChIKey is WGZUIRFFWXGKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2OS/c7-6(8,9)1-2-12-5-11-3-4(10)13-5/h3H,1-2,10H2.
What are the key properties of 2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine?
2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine has a molecular weight of 212.20 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropoxy)-1,3-thiazol-5-amine is sourced from PubChem (CID 102769599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).