1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine

C9H12F4N2OS — CID 103476043

IUPAC1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C9H12F4N2OS/c1-5(14)6-2-15-7(17-6)3-16-4-9(12,13)8(10)11/h2,5,8H,3-4,14H2,1H3
InChIKeyXWSYACQQRZAFFZ-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.58
Rot. Bonds6

About 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine

1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 103476043) has the molecular formula C9H12F4N2OS and a molecular weight of 272.27 g/mol. Its IUPAC name is 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID103476043
Molecular FormulaC9H12F4N2OS
Molecular Weight272.27 g/mol
Exact Mass272.06
IUPAC Name1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C9H12F4N2OS/c1-5(14)6-2-15-7(17-6)3-16-4-9(12,13)8(10)11/h2,5,8H,3-4,14H2,1H3
InChIKeyXWSYACQQRZAFFZ-UHFFFAOYSA-N
XLogP2.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.58
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

1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 122163992
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-amine
CID 19767930
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 58629032
(R)-1-(2-(Trifluoromethyl)thiazol-5-yl)ethan-1-amine
CID 124585017
(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
CID 135377679
(1R)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377680
1-[2-(2,2,2-Trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine;hydrochloride
CID 135377683
(1S)-1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377924
Tert-butyl-oxido-[1-[2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethylamino]sulfanium
CID 173780139
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 55260490
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61686940
N-ethyl-1-[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651183

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 103476043) is 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(COCC(F)(F)C(F)F)s1.
What is the InChIKey of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XWSYACQQRZAFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N2OS/c1-5(14)6-2-15-7(17-6)3-16-4-9(12,13)8(10)11/h2,5,8H,3-4,14H2,1H3.
What are the key properties of 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 272.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 103476043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).