2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine

C10H15F3N2OS — CID 103151295

IUPAC2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N2OS/c1-9(2,14)7-5-17-8(15-7)3-4-16-6-10(11,12)13/h5H,3-4,6,14H2,1-2H3
InChIKeySATAQTLEASGCNA-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.46
Rot. Bonds5

About 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine

2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 103151295) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
PubChem CID103151295
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC Name2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(CCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N2OS/c1-9(2,14)7-5-17-8(15-7)3-4-16-6-10(11,12)13/h5H,3-4,6,14H2,1-2H3
InChIKeySATAQTLEASGCNA-UHFFFAOYSA-N
XLogP2.46
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine (CID 103151295) is 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine is CC(C)(N)c1csc(CCOCC(F)(F)F)n1.
What is the InChIKey of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is SATAQTLEASGCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-9(2,14)7-5-17-8(15-7)3-4-16-6-10(11,12)13/h5H,3-4,6,14H2,1-2H3.
What are the key properties of 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine?
2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 268.30 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 103151295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).