5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine

C9H14F3N3S — CID 79772494

IUPAC5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)N(Cc1cnc(N)s1)CC(F)(F)F
InChIInChI=1S/C9H14F3N3S/c1-6(2)15(5-9(10,11)12)4-7-3-14-8(13)16-7/h3,6H,4-5H2,1-2H3,(H2,13,14)
InChIKeyYBBIBQLUEPTLNU-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.50
Rot. Bonds4

About 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine

5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine (PubChem CID 79772494) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
PubChem CID79772494
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC Name5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
SMILESCC(C)N(Cc1cnc(N)s1)CC(F)(F)F
InChIInChI=1S/C9H14F3N3S/c1-6(2)15(5-9(10,11)12)4-7-3-14-8(13)16-7/h3,6H,4-5H2,1-2H3,(H2,13,14)
InChIKeyYBBIBQLUEPTLNU-UHFFFAOYSA-N
XLogP2.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine (CID 79772494) is 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine is CC(C)N(Cc1cnc(N)s1)CC(F)(F)F.
What is the InChIKey of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
The InChIKey is YBBIBQLUEPTLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-6(2)15(5-9(10,11)12)4-7-3-14-8(13)16-7/h3,6H,4-5H2,1-2H3,(H2,13,14).
What are the key properties of 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine?
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine has a molecular weight of 253.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79772494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).