1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine

C11H17F3N2OS — CID 102929428

IUPAC1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCC(C)(OC)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-5-9(2,17-4)8-16-7(6-18-8)10(3,15)11(12,13)14/h6H,5,15H2,1-4H3
InChIKeySPFQREYHQPNNAO-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.15
Rot. Bonds4

About 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine

1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 102929428) has the molecular formula C11H17F3N2OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID102929428
Molecular FormulaC11H17F3N2OS
Molecular Weight282.33 g/mol
Exact Mass282.10
IUPAC Name1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCCC(C)(OC)c1nc(C(C)(N)C(F)(F)F)cs1
InChIInChI=1S/C11H17F3N2OS/c1-5-9(2,17-4)8-16-7(6-18-8)10(3,15)11(12,13)14/h6H,5,15H2,1-4H3
InChIKeySPFQREYHQPNNAO-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine (CID 102929428) is 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine is CCC(C)(OC)c1nc(C(C)(N)C(F)(F)F)cs1.
What is the InChIKey of 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is SPFQREYHQPNNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2OS/c1-5-9(2,17-4)8-16-7(6-18-8)10(3,15)11(12,13)14/h6H,5,15H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine?
1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 282.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-(2-methoxybutan-2-yl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 102929428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).