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

C7H9F3N2S — CID 56828512

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2S/c1-2-4(11)6-12-5(3-13-6)7(8,9)10/h3-4H,2,11H2,1H3
InChIKeyGOHBNIVEIOVCMD-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.57
Rot. Bonds2

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

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 56828512) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID56828512
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H9F3N2S/c1-2-4(11)6-12-5(3-13-6)7(8,9)10/h3-4H,2,11H2,1H3
InChIKeyGOHBNIVEIOVCMD-UHFFFAOYSA-N
XLogP2.57
TPSA38.91 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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine (CID 56828512) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is CCC(N)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is GOHBNIVEIOVCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-2-4(11)6-12-5(3-13-6)7(8,9)10/h3-4H,2,11H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 210.22 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 56828512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).