4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine

C8H12F3N3S — CID 87904346

IUPAC4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-4(13-3-8(9,10)11)6-5(2)14-7(12)15-6/h4,13H,3H2,1-2H3,(H2,12,14)
InChIKeyDIQBLAOGWRZXIX-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.25
Rot. Bonds3

About 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine

4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 87904346) has the molecular formula C8H12F3N3S and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID87904346
Molecular FormulaC8H12F3N3S
Molecular Weight239.27 g/mol
Exact Mass239.07
IUPAC Name4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C(C)NCC(F)(F)F
InChIInChI=1S/C8H12F3N3S/c1-4(13-3-8(9,10)11)6-5(2)14-7(12)15-6/h4,13H,3H2,1-2H3,(H2,12,14)
InChIKeyDIQBLAOGWRZXIX-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine (CID 87904346) is 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine is Cc1nc(N)sc1C(C)NCC(F)(F)F.
What is the InChIKey of 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is DIQBLAOGWRZXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3S/c1-4(13-3-8(9,10)11)6-5(2)14-7(12)15-6/h4,13H,3H2,1-2H3,(H2,12,14).
What are the key properties of 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine?
4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 239.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87904346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).