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

C5H5F3N2S — CID 11074029

IUPACN-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCNc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S/c1-9-4-10-2-3(11-4)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyGFFHYAYOQFJYCJ-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.20
Rot. Bonds1

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

N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 11074029) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID11074029
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC NameN-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCNc1ncc(C(F)(F)F)s1
InChIInChI=1S/C5H5F3N2S/c1-9-4-10-2-3(11-4)5(6,7)8/h2H,1H3,(H,9,10)
InChIKeyGFFHYAYOQFJYCJ-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 11074029) is N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine is CNc1ncc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is GFFHYAYOQFJYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c1-9-4-10-2-3(11-4)5(6,7)8/h2H,1H3,(H,9,10).
What are the key properties of N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 182.17 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 11074029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).