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

C9H15FN2S — CID 84776937

IUPAC1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C(C)(C)F)s1
InChIInChI=1S/C9H15FN2S/c1-6(11)4-7-5-12-8(13-7)9(2,3)10/h5-6H,4,11H2,1-3H3
InChIKeyNPBWUKOETJMWCO-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.24
Rot. Bonds3

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

1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 84776937) has the molecular formula C9H15FN2S and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID84776937
Molecular FormulaC9H15FN2S
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC Name1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C(C)(C)F)s1
InChIInChI=1S/C9H15FN2S/c1-6(11)4-7-5-12-8(13-7)9(2,3)10/h5-6H,4,11H2,1-3H3
InChIKeyNPBWUKOETJMWCO-UHFFFAOYSA-N
XLogP2.24
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 84776937) is 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine is CC(N)Cc1cnc(C(C)(C)F)s1.
What is the InChIKey of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is NPBWUKOETJMWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2S/c1-6(11)4-7-5-12-8(13-7)9(2,3)10/h5-6H,4,11H2,1-3H3.
What are the key properties of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine?
1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 84776937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).