2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

C8H13FN2S — CID 112565910

IUPAC2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCCC(F)(CN)Cc1nccs1
InChIInChI=1S/C8H13FN2S/c1-2-8(9,6-10)5-7-11-3-4-12-7/h3-4H,2,5-6,10H2,1H3
InChIKeyLCEOSKANRLHYFY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.76
Rot. Bonds4

About 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine

2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (PubChem CID 112565910) has the molecular formula C8H13FN2S and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
PubChem CID112565910
Molecular FormulaC8H13FN2S
Molecular Weight188.27 g/mol
Exact Mass188.08
IUPAC Name2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
SMILESCCC(F)(CN)Cc1nccs1
InChIInChI=1S/C8H13FN2S/c1-2-8(9,6-10)5-7-11-3-4-12-7/h3-4H,2,5-6,10H2,1H3
InChIKeyLCEOSKANRLHYFY-UHFFFAOYSA-N
XLogP1.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine (CID 112565910) is 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is CCC(F)(CN)Cc1nccs1.
What is the InChIKey of 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
The InChIKey is LCEOSKANRLHYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2S/c1-2-8(9,6-10)5-7-11-3-4-12-7/h3-4H,2,5-6,10H2,1H3.
What are the key properties of 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine?
2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine has a molecular weight of 188.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1,3-thiazol-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 112565910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).