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

C6H5F5N2OS — CID 102769551

IUPAC2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C6H5F5N2OS/c7-5(8,6(9,10)11)2-14-4-13-1-3(12)15-4/h1H,2,12H2
InChIKeyWSAMDHZPLNLXRO-UHFFFAOYSA-N
MW248.18 g/mol
LogP2.30
Rot. Bonds3

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

2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine (PubChem CID 102769551) has the molecular formula C6H5F5N2OS and a molecular weight of 248.18 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine
PubChem CID102769551
Molecular FormulaC6H5F5N2OS
Molecular Weight248.18 g/mol
Exact Mass248.00
IUPAC Name2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine
SMILESNc1cnc(OCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C6H5F5N2OS/c7-5(8,6(9,10)11)2-14-4-13-1-3(12)15-4/h1H,2,12H2
InChIKeyWSAMDHZPLNLXRO-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Trifluoromethyl)-1,3-thiazol-5-amine hydrochloride
CID 137965841
2-(Trifluoromethyl)thiazol-5-amine
CID 53403798
N-(trifluoromethyl)-1,3-thiazol-5-amine
CID 91280141
2-(Difluoromethyl)-1,3-thiazol-5-amine
CID 84763177
2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-amine
CID 102769230
2-(2,2,3,3-Tetrafluoropropoxy)-1,3-thiazol-5-amine
CID 102769383
2-[(1,1,1-Trifluoropropan-2-yl)oxy]-1,3-thiazol-5-amine
CID 102769545
2-(2,2-Difluoroethoxy)-1,3-thiazol-5-amine
CID 102769587
2-(4,4,4-Trifluorobutoxy)-1,3-thiazol-5-amine
CID 102769591
2-(3,3,3-Trifluoropropoxy)-1,3-thiazol-5-amine
CID 102769599
2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1,3-thiazol-5-amine
CID 102769638
2-(2,2-Difluoropropoxy)-1,3-thiazol-5-amine
CID 165962999

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine?
The IUPAC name of 2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine (CID 102769551) is 2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine is Nc1cnc(OCC(F)(F)C(F)(F)F)s1.
What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine?
The InChIKey is WSAMDHZPLNLXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2OS/c7-5(8,6(9,10)11)2-14-4-13-1-3(12)15-4/h1H,2,12H2.
What are the key properties of 2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine?
2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine has a molecular weight of 248.18 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3,3-pentafluoropropoxy)-1,3-thiazol-5-amine is sourced from PubChem (CID 102769551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).