4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

C7H9F3N2S — CID 65169956

IUPAC4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCC(F)(F)F)sc1C
InChIInChI=1S/C7H9F3N2S/c1-4-5(2)13-6(12-4)11-3-7(8,9)10/h3H2,1-2H3,(H,11,12)
InChIKeyCLURPRIYQJMPSM-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.73
Rot. Bonds2

About 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine

4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (PubChem CID 65169956) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
PubChem CID65169956
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCC(F)(F)F)sc1C
InChIInChI=1S/C7H9F3N2S/c1-4-5(2)13-6(12-4)11-3-7(8,9)10/h3H2,1-2H3,(H,11,12)
InChIKeyCLURPRIYQJMPSM-UHFFFAOYSA-N
XLogP2.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine (CID 65169956) is 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is Cc1nc(NCC(F)(F)F)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
The InChIKey is CLURPRIYQJMPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-4-5(2)13-6(12-4)11-3-7(8,9)10/h3H2,1-2H3,(H,11,12).
What are the key properties of 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine?
4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine has a molecular weight of 210.22 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 65169956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).