2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine

C6H9FN2S — CID 84764242

IUPAC2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine
SMILESCC(C)(F)c1nc(N)cs1
InChIInChI=1S/C6H9FN2S/c1-6(2,7)5-9-4(8)3-10-5/h3H,8H2,1-2H3
InChIKeyJSRRJFNNRLFYDG-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.93
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine

2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine (PubChem CID 84764242) has the molecular formula C6H9FN2S and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine
PubChem CID84764242
Molecular FormulaC6H9FN2S
Molecular Weight160.22 g/mol
Exact Mass160.05
IUPAC Name2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine
SMILESCC(C)(F)c1nc(N)cs1
InChIInChI=1S/C6H9FN2S/c1-6(2,7)5-9-4(8)3-10-5/h3H,8H2,1-2H3
InChIKeyJSRRJFNNRLFYDG-UHFFFAOYSA-N
XLogP1.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine?
The IUPAC name of 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine (CID 84764242) is 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine is CC(C)(F)c1nc(N)cs1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine?
The InChIKey is JSRRJFNNRLFYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2S/c1-6(2,7)5-9-4(8)3-10-5/h3H,8H2,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine?
2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine has a molecular weight of 160.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 84764242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).