2-fluoro-1,3-thiazol-4-amine

C3H3FN2S — CID 66755772

IUPAC2-fluoro-1,3-thiazol-4-amine
SMILESNc1csc(F)n1
InChIInChI=1S/C3H3FN2S/c4-3-6-2(5)1-7-3/h1H,5H2
InChIKeyAOIHCWQXXAGBCB-UHFFFAOYSA-N
MW118.14 g/mol
LogP0.86
Rot. Bonds

About 2-fluoro-1,3-thiazol-4-amine

2-fluoro-1,3-thiazol-4-amine (PubChem CID 66755772) has the molecular formula C3H3FN2S and a molecular weight of 118.14 g/mol. Its IUPAC name is 2-fluoro-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-fluoro-1,3-thiazol-4-amine
PubChem CID66755772
Molecular FormulaC3H3FN2S
Molecular Weight118.14 g/mol
Exact Mass118.00
IUPAC Name2-fluoro-1,3-thiazol-4-amine
SMILESNc1csc(F)n1
InChIInChI=1S/C3H3FN2S/c4-3-6-2(5)1-7-3/h1H,5H2
InChIKeyAOIHCWQXXAGBCB-UHFFFAOYSA-N
XLogP0.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-thiazol-4-amine?
The IUPAC name of 2-fluoro-1,3-thiazol-4-amine (CID 66755772) is 2-fluoro-1,3-thiazol-4-amine.
What is the SMILES notation for 2-fluoro-1,3-thiazol-4-amine?
The canonical SMILES for 2-fluoro-1,3-thiazol-4-amine is Nc1csc(F)n1.
What is the InChIKey of 2-fluoro-1,3-thiazol-4-amine?
The InChIKey is AOIHCWQXXAGBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FN2S/c4-3-6-2(5)1-7-3/h1H,5H2.
What are the key properties of 2-fluoro-1,3-thiazol-4-amine?
2-fluoro-1,3-thiazol-4-amine has a molecular weight of 118.14 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-thiazol-4-amine is sourced from PubChem (CID 66755772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).