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

C10H14F4N2OS — CID 103476045

IUPACN-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C10H14F4N2OS/c1-6(15-2)7-3-16-8(18-7)4-17-5-10(13,14)9(11)12/h3,6,9,15H,4-5H2,1-2H3
InChIKeyRNYVZYLKVDCTPS-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.84
Rot. Bonds7

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

N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 103476045) has the molecular formula C10H14F4N2OS and a molecular weight of 286.29 g/mol. Its IUPAC name is N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID103476045
Molecular FormulaC10H14F4N2OS
Molecular Weight286.29 g/mol
Exact Mass286.08
IUPAC NameN-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C10H14F4N2OS/c1-6(15-2)7-3-16-8(18-7)4-17-5-10(13,14)9(11)12/h3,6,9,15H,4-5H2,1-2H3
InChIKeyRNYVZYLKVDCTPS-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.84
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 N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 103476045) is N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1cnc(COCC(F)(F)C(F)F)s1.
What is the InChIKey of N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RNYVZYLKVDCTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N2OS/c1-6(15-2)7-3-16-8(18-7)4-17-5-10(13,14)9(11)12/h3,6,9,15H,4-5H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 286.29 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 103476045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).