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

C6H6F4N2OS — CID 102769383

IUPAC2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCC(F)(F)C(F)F)s1
InChIInChI=1S/C6H6F4N2OS/c7-4(8)6(9,10)2-13-5-12-1-3(11)14-5/h1,4H,2,11H2
InChIKeyMZUOIGRUMQMXAC-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.00
Rot. Bonds4

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

2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine (PubChem CID 102769383) has the molecular formula C6H6F4N2OS and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine
PubChem CID102769383
Molecular FormulaC6H6F4N2OS
Molecular Weight230.19 g/mol
Exact Mass230.01
IUPAC Name2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCC(F)(F)C(F)F)s1
InChIInChI=1S/C6H6F4N2OS/c7-4(8)6(9,10)2-13-5-12-1-3(11)14-5/h1,4H,2,11H2
InChIKeyMZUOIGRUMQMXAC-UHFFFAOYSA-N
XLogP2.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine (CID 102769383) is 2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine is Nc1cnc(OCC(F)(F)C(F)F)s1.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine?
The InChIKey is MZUOIGRUMQMXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4N2OS/c7-4(8)6(9,10)2-13-5-12-1-3(11)14-5/h1,4H,2,11H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine?
2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine has a molecular weight of 230.19 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxy)-1,3-thiazol-5-amine is sourced from PubChem (CID 102769383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).