5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C10H17F3N2OS — CID 113492478

IUPAC5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(NCCOCC(F)(F)F)S1
InChIInChI=1S/C10H17F3N2OS/c1-7(2)8-5-15-9(17-8)14-3-4-16-6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyFMHFESIMODTNNP-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.28
Rot. Bonds5

About 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113492478) has the molecular formula C10H17F3N2OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113492478
Molecular FormulaC10H17F3N2OS
Molecular Weight270.32 g/mol
Exact Mass270.10
IUPAC Name5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(NCCOCC(F)(F)F)S1
InChIInChI=1S/C10H17F3N2OS/c1-7(2)8-5-15-9(17-8)14-3-4-16-6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyFMHFESIMODTNNP-UHFFFAOYSA-N
XLogP2.28
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.28
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 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 113492478) is 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CN=C(NCCOCC(F)(F)F)S1.
What is the InChIKey of 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is FMHFESIMODTNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2OS/c1-7(2)8-5-15-9(17-8)14-3-4-16-6-10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113492478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).