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

C8H13FN2S — CID 84770832

IUPAC2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)(F)c1ncc(CCN)s1
InChIInChI=1S/C8H13FN2S/c1-8(2,9)7-11-5-6(12-7)3-4-10/h5H,3-4,10H2,1-2H3
InChIKeyKZZQAWICNNCBKO-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.85
Rot. Bonds3

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

2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 84770832) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID84770832
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(C)(F)c1ncc(CCN)s1
InChIInChI=1S/C8H13FN2S/c1-8(2,9)7-11-5-6(12-7)3-4-10/h5H,3-4,10H2,1-2H3
InChIKeyKZZQAWICNNCBKO-UHFFFAOYSA-N
XLogP1.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine (CID 84770832) is 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine is CC(C)(F)c1ncc(CCN)s1.
What is the InChIKey of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KZZQAWICNNCBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-8(2,9)7-11-5-6(12-7)3-4-10/h5H,3-4,10H2,1-2H3.
What are the key properties of 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine?
2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 188.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 84770832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).