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

C5H6ClF3N2S — CID 118988320

IUPAC[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1csc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2S.ClH/c6-5(7,8)4-10-3(1-9)2-11-4;/h2H,1,9H2;1H
InChIKeyLBBXKHNHGYMCGU-UHFFFAOYSA-N
MW218.63 g/mol
LogP2.04
Rot. Bonds1

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

[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride (PubChem CID 118988320) has the molecular formula C5H6ClF3N2S and a molecular weight of 218.63 g/mol. Its IUPAC name is [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
PubChem CID118988320
Molecular FormulaC5H6ClF3N2S
Molecular Weight218.63 g/mol
Exact Mass217.99
IUPAC Name[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1csc(C(F)(F)F)n1
InChIInChI=1S/C5H5F3N2S.ClH/c6-5(7,8)4-10-3(1-9)2-11-4;/h2H,1,9H2;1H
InChIKeyLBBXKHNHGYMCGU-UHFFFAOYSA-N
XLogP2.04
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride (CID 118988320) is [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride is Cl.NCc1csc(C(F)(F)F)n1.
What is the InChIKey of [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The InChIKey is LBBXKHNHGYMCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S.ClH/c6-5(7,8)4-10-3(1-9)2-11-4;/h2H,1,9H2;1H.
What are the key properties of [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
[2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride has a molecular weight of 218.63 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-1,3-thiazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 118988320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).