5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole

C13H8F3NO4S — CID 178076427

IUPAC5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(Oc2ncc(C3OC=CO3)s2)cc1
InChIInChI=1S/C13H8F3NO4S/c14-13(15,16)21-9-3-1-8(2-4-9)20-12-17-7-10(22-12)11-18-5-6-19-11/h1-7,11H
InChIKeyFVLAPHNHSAHHPO-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.35
Rot. Bonds4

About 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole

5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole (PubChem CID 178076427) has the molecular formula C13H8F3NO4S and a molecular weight of 331.27 g/mol. Its IUPAC name is 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole.

Molecular Properties

Compound Name5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole
PubChem CID178076427
Molecular FormulaC13H8F3NO4S
Molecular Weight331.27 g/mol
Exact Mass331.01
IUPAC Name5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole
SMILESFC(F)(F)Oc1ccc(Oc2ncc(C3OC=CO3)s2)cc1
InChIInChI=1S/C13H8F3NO4S/c14-13(15,16)21-9-3-1-8(2-4-9)20-12-17-7-10(22-12)11-18-5-6-19-11/h1-7,11H
InChIKeyFVLAPHNHSAHHPO-UHFFFAOYSA-N
XLogP4.35
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-4-[4-(trifluoromethoxy)phenoxy]pyridine
CID 90008186
4-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
CID 103241999
5-bromo-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 25093333
2-nitro-5-[4-(trifluoromethoxy)phenoxy]pyridine
CID 166056986
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
2-amino-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 141271002
2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
CID 141415488
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
2-(difluoromethoxy)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 71302315
(5R)-3-[(5-fluoro-6-methoxy-3-pyridinyl)oxy]-5-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
CID 88979399
5-thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole
CID 155515470

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole?
The IUPAC name of 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole (CID 178076427) is 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole.
What is the SMILES notation for 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole?
The canonical SMILES for 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole is FC(F)(F)Oc1ccc(Oc2ncc(C3OC=CO3)s2)cc1.
What is the InChIKey of 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole?
The InChIKey is FVLAPHNHSAHHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO4S/c14-13(15,16)21-9-3-1-8(2-4-9)20-12-17-7-10(22-12)11-18-5-6-19-11/h1-7,11H.
What are the key properties of 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole?
5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole has a molecular weight of 331.27 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxol-2-yl)-2-[4-(trifluoromethoxy)phenoxy]-1,3-thiazole is sourced from PubChem (CID 178076427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).