5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole

C7H8F3NOS — CID 144946169

IUPAC5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole
SMILESCC(C)c1cc(OC(F)(F)F)ns1
InChIInChI=1S/C7H8F3NOS/c1-4(2)5-3-6(11-13-5)12-7(8,9)10/h3-4H,1-2H3
InChIKeyQKKMMLCGCRDMBS-UHFFFAOYSA-N
MW211.21 g/mol
LogP3.17
Rot. Bonds2

About 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole

5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole (PubChem CID 144946169) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole
PubChem CID144946169
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole
SMILESCC(C)c1cc(OC(F)(F)F)ns1
InChIInChI=1S/C7H8F3NOS/c1-4(2)5-3-6(11-13-5)12-7(8,9)10/h3-4H,1-2H3
InChIKeyQKKMMLCGCRDMBS-UHFFFAOYSA-N
XLogP3.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole?
The IUPAC name of 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole (CID 144946169) is 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole.
What is the SMILES notation for 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole?
The canonical SMILES for 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole is CC(C)c1cc(OC(F)(F)F)ns1.
What is the InChIKey of 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole?
The InChIKey is QKKMMLCGCRDMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-4(2)5-3-6(11-13-5)12-7(8,9)10/h3-4H,1-2H3.
What are the key properties of 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole?
5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole has a molecular weight of 211.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(trifluoromethoxy)-1,2-thiazole is sourced from PubChem (CID 144946169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).