1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride

C7H10ClF3N2S — CID 162321214

IUPAC1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride
SMILESCCC(N)c1ncc(C(F)(F)F)s1.Cl
InChIInChI=1S/C7H9F3N2S.ClH/c1-2-4(11)6-12-3-5(13-6)7(8,9)10;/h3-4H,2,11H2,1H3;1H
InChIKeyQRROEGRCOYBEOM-UHFFFAOYSA-N
MW246.69 g/mol
LogP2.99
Rot. Bonds2

About 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride

1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride (PubChem CID 162321214) has the molecular formula C7H10ClF3N2S and a molecular weight of 246.69 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride
PubChem CID162321214
Molecular FormulaC7H10ClF3N2S
Molecular Weight246.69 g/mol
Exact Mass246.02
IUPAC Name1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride
SMILESCCC(N)c1ncc(C(F)(F)F)s1.Cl
InChIInChI=1S/C7H9F3N2S.ClH/c1-2-4(11)6-12-3-5(13-6)7(8,9)10;/h3-4H,2,11H2,1H3;1H
InChIKeyQRROEGRCOYBEOM-UHFFFAOYSA-N
XLogP2.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride?
The IUPAC name of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride (CID 162321214) is 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride is CCC(N)c1ncc(C(F)(F)F)s1.Cl.
What is the InChIKey of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride?
The InChIKey is QRROEGRCOYBEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S.ClH/c1-2-4(11)6-12-3-5(13-6)7(8,9)10;/h3-4H,2,11H2,1H3;1H.
What are the key properties of 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride?
1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride has a molecular weight of 246.69 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine;hydrochloride is sourced from PubChem (CID 162321214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).