3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine

C7H11FN2S — CID 131002474

IUPAC3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine
SMILESCC(N)C(C)(F)c1ccns1
InChIInChI=1S/C7H11FN2S/c1-5(9)7(2,8)6-3-4-10-11-6/h3-5H,9H2,1-2H3
InChIKeyGSPCZJPXNOCACV-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.67
Rot. Bonds2

About 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine

3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine (PubChem CID 131002474) has the molecular formula C7H11FN2S and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine
PubChem CID131002474
Molecular FormulaC7H11FN2S
Molecular Weight174.24 g/mol
Exact Mass174.06
IUPAC Name3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine
SMILESCC(N)C(C)(F)c1ccns1
InChIInChI=1S/C7H11FN2S/c1-5(9)7(2,8)6-3-4-10-11-6/h3-5H,9H2,1-2H3
InChIKeyGSPCZJPXNOCACV-UHFFFAOYSA-N
XLogP1.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine?
The IUPAC name of 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine (CID 131002474) is 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine is CC(N)C(C)(F)c1ccns1.
What is the InChIKey of 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine?
The InChIKey is GSPCZJPXNOCACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2S/c1-5(9)7(2,8)6-3-4-10-11-6/h3-5H,9H2,1-2H3.
What are the key properties of 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine?
3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine has a molecular weight of 174.24 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1,2-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 131002474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).