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

C8H11F3N2S — CID 62646774

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2S/c1-2-5(12)3-7-13-6(4-14-7)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeyPPELIXPJBFELMQ-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.44
Rot. Bonds3

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

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 62646774) has the molecular formula C8H11F3N2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine
PubChem CID62646774
Molecular FormulaC8H11F3N2S
Molecular Weight224.25 g/mol
Exact Mass224.06
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C8H11F3N2S/c1-2-5(12)3-7-13-6(4-14-7)8(9,10)11/h4-5H,2-3,12H2,1H3
InChIKeyPPELIXPJBFELMQ-UHFFFAOYSA-N
XLogP2.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.44
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]butan-2-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine (CID 62646774) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine is CCC(N)Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is PPELIXPJBFELMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S/c1-2-5(12)3-7-13-6(4-14-7)8(9,10)11/h4-5H,2-3,12H2,1H3.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 224.25 g/mol, XLogP of 2.44, 3 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]butan-2-amine is sourced from PubChem (CID 62646774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).