2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine

C13H18F3N3S — CID 146489859

IUPAC2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine
SMILESCNC1=CSC(C2=CN(C)C(C(F)(F)F)C(C)=C2)N1C
InChIInChI=1S/C13H18F3N3S/c1-8-5-9(6-18(3)11(8)13(14,15)16)12-19(4)10(17-2)7-20-12/h5-7,11-12,17H,1-4H3
InChIKeyVZTGMIGJPNLTMF-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.72
Rot. Bonds2

About 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine

2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine (PubChem CID 146489859) has the molecular formula C13H18F3N3S and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine
PubChem CID146489859
Molecular FormulaC13H18F3N3S
Molecular Weight305.37 g/mol
Exact Mass305.12
IUPAC Name2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine
SMILESCNC1=CSC(C2=CN(C)C(C(F)(F)F)C(C)=C2)N1C
InChIInChI=1S/C13H18F3N3S/c1-8-5-9(6-18(3)11(8)13(14,15)16)12-19(4)10(17-2)7-20-12/h5-7,11-12,17H,1-4H3
InChIKeyVZTGMIGJPNLTMF-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine?
The IUPAC name of 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine (CID 146489859) is 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine?
The canonical SMILES for 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine is CNC1=CSC(C2=CN(C)C(C(F)(F)F)C(C)=C2)N1C.
What is the InChIKey of 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine?
The InChIKey is VZTGMIGJPNLTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3S/c1-8-5-9(6-18(3)11(8)13(14,15)16)12-19(4)10(17-2)7-20-12/h5-7,11-12,17H,1-4H3.
What are the key properties of 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine?
2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine has a molecular weight of 305.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-N,3-dimethyl-2H-1,3-thiazol-4-amine is sourced from PubChem (CID 146489859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).