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

C9H15FN2S — CID 84776939

IUPAC3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(C)(F)c1ncc(CCCN)s1
InChIInChI=1S/C9H15FN2S/c1-9(2,10)8-12-6-7(13-8)4-3-5-11/h6H,3-5,11H2,1-2H3
InChIKeyITVMSMZKHGVTNS-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.24
Rot. Bonds4

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

3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 84776939) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID84776939
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC Name3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCC(C)(F)c1ncc(CCCN)s1
InChIInChI=1S/C9H15FN2S/c1-9(2,10)8-12-6-7(13-8)4-3-5-11/h6H,3-5,11H2,1-2H3
InChIKeyITVMSMZKHGVTNS-UHFFFAOYSA-N
XLogP2.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine (CID 84776939) is 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine is CC(C)(F)c1ncc(CCCN)s1.
What is the InChIKey of 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is ITVMSMZKHGVTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-9(2,10)8-12-6-7(13-8)4-3-5-11/h6H,3-5,11H2,1-2H3.
What are the key properties of 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine?
3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 84776939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).