2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine

C7H9F3N2S — CID 96864974

IUPAC2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c1-6(2,11)4-3-13-5(12-4)7(8,9)10/h3H,11H2,1-2H3
InChIKeyCNKJOKRUPOLIGM-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.36
Rot. Bonds1

About 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine

2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine (PubChem CID 96864974) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine
PubChem CID96864974
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1csc(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c1-6(2,11)4-3-13-5(12-4)7(8,9)10/h3H,11H2,1-2H3
InChIKeyCNKJOKRUPOLIGM-UHFFFAOYSA-N
XLogP2.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine?
The IUPAC name of 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine (CID 96864974) is 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine is CC(C)(N)c1csc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine?
The InChIKey is CNKJOKRUPOLIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-6(2,11)4-3-13-5(12-4)7(8,9)10/h3H,11H2,1-2H3.
What are the key properties of 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine?
2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine has a molecular weight of 210.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]propan-2-amine is sourced from PubChem (CID 96864974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).