5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane

C8H13F3N2S — CID 143474816

IUPAC5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane
SMILESCCC.Cc1sc(N)nc1C(F)(F)F
InChIInChI=1S/C5H5F3N2S.C3H8/c1-2-3(5(6,7)8)10-4(9)11-2;1-3-2/h1H3,(H2,9,10);3H2,1-2H3
InChIKeyUGEZORYMMZSOQD-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.47
Rot. Bonds

About 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane

5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane (PubChem CID 143474816) has the molecular formula C8H13F3N2S and a molecular weight of 226.27 g/mol. Its IUPAC name is 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane.

Molecular Properties

Compound Name5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane
PubChem CID143474816
Molecular FormulaC8H13F3N2S
Molecular Weight226.27 g/mol
Exact Mass226.08
IUPAC Name5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane
SMILESCCC.Cc1sc(N)nc1C(F)(F)F
InChIInChI=1S/C5H5F3N2S.C3H8/c1-2-3(5(6,7)8)10-4(9)11-2;1-3-2/h1H3,(H2,9,10);3H2,1-2H3
InChIKeyUGEZORYMMZSOQD-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane?
The IUPAC name of 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane (CID 143474816) is 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane.
What is the SMILES notation for 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane?
The canonical SMILES for 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane is CCC.Cc1sc(N)nc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane?
The InChIKey is UGEZORYMMZSOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S.C3H8/c1-2-3(5(6,7)8)10-4(9)11-2;1-3-2/h1H3,(H2,9,10);3H2,1-2H3.
What are the key properties of 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane?
5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane has a molecular weight of 226.27 g/mol, XLogP of 3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(trifluoromethyl)-1,3-thiazol-2-amine;propane is sourced from PubChem (CID 143474816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).