2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine

C9H13F3N2S — CID 79964428

IUPAC2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CCC(F)(F)F)sc1CCN
InChIInChI=1S/C9H13F3N2S/c1-6-7(3-5-13)15-8(14-6)2-4-9(10,11)12/h2-5,13H2,1H3
InChIKeyGIACAWAZGFQFPL-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.45
Rot. Bonds4

About 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine

2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79964428) has the molecular formula C9H13F3N2S and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79964428
Molecular FormulaC9H13F3N2S
Molecular Weight238.28 g/mol
Exact Mass238.08
IUPAC Name2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(CCC(F)(F)F)sc1CCN
InChIInChI=1S/C9H13F3N2S/c1-6-7(3-5-13)15-8(14-6)2-4-9(10,11)12/h2-5,13H2,1H3
InChIKeyGIACAWAZGFQFPL-UHFFFAOYSA-N
XLogP2.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine (CID 79964428) is 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(CCC(F)(F)F)sc1CCN.
What is the InChIKey of 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is GIACAWAZGFQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2S/c1-6-7(3-5-13)15-8(14-6)2-4-9(10,11)12/h2-5,13H2,1H3.
What are the key properties of 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine?
2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 238.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(3,3,3-trifluoropropyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79964428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).