N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

C10H8F3N3S — CID 62313093

IUPACN-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCc2cscn2)n1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)8-2-1-3-9(16-8)14-4-7-5-17-6-15-7/h1-3,5-6H,4H2,(H,14,16)
InChIKeyMLMSLUJRGBAHLP-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.17
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 62313093) has the molecular formula C10H8F3N3S and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID62313093
Molecular FormulaC10H8F3N3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCc2cscn2)n1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)8-2-1-3-9(16-8)14-4-7-5-17-6-15-7/h1-3,5-6H,4H2,(H,14,16)
InChIKeyMLMSLUJRGBAHLP-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 62313093) is N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NCc2cscn2)n1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is MLMSLUJRGBAHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S/c11-10(12,13)8-2-1-3-9(16-8)14-4-7-5-17-6-15-7/h1-3,5-6H,4H2,(H,14,16).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 259.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 62313093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).