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

C7H8F3NS — CID 166088307

IUPAC3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole
SMILESCC(C)c1cc(C(F)(F)F)sn1
InChIInChI=1S/C7H8F3NS/c1-4(2)5-3-6(12-11-5)7(8,9)10/h3-4H,1-2H3
InChIKeyBHRJRDDNEDZGBL-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.29
Rot. Bonds1

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

3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole (PubChem CID 166088307) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole
PubChem CID166088307
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole
SMILESCC(C)c1cc(C(F)(F)F)sn1
InChIInChI=1S/C7H8F3NS/c1-4(2)5-3-6(12-11-5)7(8,9)10/h3-4H,1-2H3
InChIKeyBHRJRDDNEDZGBL-UHFFFAOYSA-N
XLogP3.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole?
The IUPAC name of 3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole (CID 166088307) is 3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole.
What is the SMILES notation for 3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole?
The canonical SMILES for 3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole is CC(C)c1cc(C(F)(F)F)sn1.
What is the InChIKey of 3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole?
The InChIKey is BHRJRDDNEDZGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c1-4(2)5-3-6(12-11-5)7(8,9)10/h3-4H,1-2H3.
What are the key properties of 3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole?
3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole has a molecular weight of 195.21 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(trifluoromethyl)-1,2-thiazole is sourced from PubChem (CID 166088307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).