N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride

C5H6ClF3N2S — CID 175525904

IUPACN-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride
SMILESCNc1cnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C5H5F3N2S.ClH/c1-9-3-2-10-4(11-3)5(6,7)8;/h2,9H,1H3;1H
InChIKeyCSYXNNUVGOQKIF-UHFFFAOYSA-N
MW218.63 g/mol
LogP2.63
Rot. Bonds1

About N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride

N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride (PubChem CID 175525904) has the molecular formula C5H6ClF3N2S and a molecular weight of 218.63 g/mol. Its IUPAC name is N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride
PubChem CID175525904
Molecular FormulaC5H6ClF3N2S
Molecular Weight218.63 g/mol
Exact Mass217.99
IUPAC NameN-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride
SMILESCNc1cnc(C(F)(F)F)s1.Cl
InChIInChI=1S/C5H5F3N2S.ClH/c1-9-3-2-10-4(11-3)5(6,7)8;/h2,9H,1H3;1H
InChIKeyCSYXNNUVGOQKIF-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride?
The IUPAC name of N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride (CID 175525904) is N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride?
The canonical SMILES for N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride is CNc1cnc(C(F)(F)F)s1.Cl.
What is the InChIKey of N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride?
The InChIKey is CSYXNNUVGOQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S.ClH/c1-9-3-2-10-4(11-3)5(6,7)8;/h2,9H,1H3;1H.
What are the key properties of N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride?
N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride has a molecular weight of 218.63 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(trifluoromethyl)-1,3-thiazol-5-amine;hydrochloride is sourced from PubChem (CID 175525904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).