2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole

C11H13F3N2OS — CID 133465422

IUPAC2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESC=CCOC1CCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C11H13F3N2OS/c1-2-5-17-8-3-4-16(6-8)10-15-9(7-18-10)11(12,13)14/h2,7-8H,1,3-6H2
InChIKeyMLWVOALXMHWIOX-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133465422) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133465422
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESC=CCOC1CCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C11H13F3N2OS/c1-2-5-17-8-3-4-16(6-8)10-15-9(7-18-10)11(12,13)14/h2,7-8H,1,3-6H2
InChIKeyMLWVOALXMHWIOX-UHFFFAOYSA-N
XLogP2.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 133465422) is 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole is C=CCOC1CCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is MLWVOALXMHWIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c1-2-5-17-8-3-4-16(6-8)10-15-9(7-18-10)11(12,13)14/h2,7-8H,1,3-6H2.
What are the key properties of 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 278.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enoxypyrrolidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133465422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).