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

C7H10F3NS — CID 173055811

IUPAC2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole
SMILESCC(C)C1SC=CN1C(F)(F)F
InChIInChI=1S/C7H10F3NS/c1-5(2)6-11(3-4-12-6)7(8,9)10/h3-6H,1-2H3
InChIKeyURVBHWIGTJKLRF-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.01
Rot. Bonds1

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

2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole (PubChem CID 173055811) has the molecular formula C7H10F3NS and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole
PubChem CID173055811
Molecular FormulaC7H10F3NS
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Name2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole
SMILESCC(C)C1SC=CN1C(F)(F)F
InChIInChI=1S/C7H10F3NS/c1-5(2)6-11(3-4-12-6)7(8,9)10/h3-6H,1-2H3
InChIKeyURVBHWIGTJKLRF-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

CID 146392738
CID 146392738
CID 173055787
CID 173055787
CID 173055833
CID 173055833
CID 173055860
CID 173055860
CID 173055905
CID 173055905
CID 174883467
CID 174883467
CID 135194028
CID 135194028
CID 154165307
CID 154165307
CID 154205411
CID 154205411
CID 165126736
CID 165126736
CID 173055759
CID 173055759
CID 173055906
CID 173055906

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole (CID 173055811) is 2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole is CC(C)C1SC=CN1C(F)(F)F.
What is the InChIKey of 2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole?
The InChIKey is URVBHWIGTJKLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NS/c1-5(2)6-11(3-4-12-6)7(8,9)10/h3-6H,1-2H3.
What are the key properties of 2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole?
2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole has a molecular weight of 197.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(trifluoromethyl)-2H-1,3-thiazole is sourced from PubChem (CID 173055811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).