2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole

C7H8F3NOS — CID 144946103

IUPAC2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole
SMILESCC(C)c1nc(OC(F)(F)F)cs1
InChIInChI=1S/C7H8F3NOS/c1-4(2)6-11-5(3-13-6)12-7(8,9)10/h3-4H,1-2H3
InChIKeySDUWAQOJDGUGPD-UHFFFAOYSA-N
MW211.21 g/mol
LogP3.17
Rot. Bonds2

About 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole

2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole (PubChem CID 144946103) has the molecular formula C7H8F3NOS and a molecular weight of 211.21 g/mol. Its IUPAC name is 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole
PubChem CID144946103
Molecular FormulaC7H8F3NOS
Molecular Weight211.21 g/mol
Exact Mass211.03
IUPAC Name2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole
SMILESCC(C)c1nc(OC(F)(F)F)cs1
InChIInChI=1S/C7H8F3NOS/c1-4(2)6-11-5(3-13-6)12-7(8,9)10/h3-4H,1-2H3
InChIKeySDUWAQOJDGUGPD-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 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole (CID 144946103) is 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole is CC(C)c1nc(OC(F)(F)F)cs1.
What is the InChIKey of 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole?
The InChIKey is SDUWAQOJDGUGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS/c1-4(2)6-11-5(3-13-6)12-7(8,9)10/h3-4H,1-2H3.
What are the key properties of 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole?
2-propan-2-yl-4-(trifluoromethoxy)-1,3-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 2-propan-2-yl-4-(trifluoromethoxy)-1,3-thiazole is sourced from PubChem (CID 144946103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).