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

C8H12ClF3N2S — CID 154832860

IUPAC2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride
SMILESCCC(C)(N)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C8H11F3N2S.ClH/c1-3-7(2,12)6-13-5(4-14-6)8(9,10)11;/h4H,3,12H2,1-2H3;1H
InChIKeyRBQQVDNVXIQYOE-UHFFFAOYSA-N
MW260.71 g/mol
LogP3.17
Rot. Bonds2

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

2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride (PubChem CID 154832860) has the molecular formula C8H12ClF3N2S and a molecular weight of 260.71 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride
PubChem CID154832860
Molecular FormulaC8H12ClF3N2S
Molecular Weight260.71 g/mol
Exact Mass260.04
IUPAC Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride
SMILESCCC(C)(N)c1nc(C(F)(F)F)cs1.Cl
InChIInChI=1S/C8H11F3N2S.ClH/c1-3-7(2,12)6-13-5(4-14-6)8(9,10)11;/h4H,3,12H2,1-2H3;1H
InChIKeyRBQQVDNVXIQYOE-UHFFFAOYSA-N
XLogP3.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride?
The IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride (CID 154832860) is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride?
The canonical SMILES for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride is CCC(C)(N)c1nc(C(F)(F)F)cs1.Cl.
What is the InChIKey of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride?
The InChIKey is RBQQVDNVXIQYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2S.ClH/c1-3-7(2,12)6-13-5(4-14-6)8(9,10)11;/h4H,3,12H2,1-2H3;1H.
What are the key properties of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride?
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride has a molecular weight of 260.71 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butan-2-amine;hydrochloride is sourced from PubChem (CID 154832860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).