4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

C10H12F3NOS — CID 103151262

IUPAC4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)(F)COCCc1nc(C2CC2)cs1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)6-15-4-3-9-14-8(5-16-9)7-1-2-7/h5,7H,1-4,6H2
InChIKeyVKGVRTIEYGQUFP-UHFFFAOYSA-N
MW251.27 g/mol
LogP3.14
Rot. Bonds5

About 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole

4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (PubChem CID 103151262) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
PubChem CID103151262
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
SMILESFC(F)(F)COCCc1nc(C2CC2)cs1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)6-15-4-3-9-14-8(5-16-9)7-1-2-7/h5,7H,1-4,6H2
InChIKeyVKGVRTIEYGQUFP-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole (CID 103151262) is 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is FC(F)(F)COCCc1nc(C2CC2)cs1.
What is the InChIKey of 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
The InChIKey is VKGVRTIEYGQUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NOS/c11-10(12,13)6-15-4-3-9-14-8(5-16-9)7-1-2-7/h5,7H,1-4,6H2.
What are the key properties of 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole?
4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole has a molecular weight of 251.27 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 103151262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).