6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine

C13H14F3N3S — CID 133483685

IUPAC6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine
SMILESCCC(Nc1cccc(C)n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H14F3N3S/c1-3-9(18-11-6-4-5-8(2)17-11)12-19-10(7-20-12)13(14,15)16/h4-7,9H,3H2,1-2H3,(H,17,18)
InChIKeyBVCXPGXGBQFSHY-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.43
Rot. Bonds4

About 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine

6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine (PubChem CID 133483685) has the molecular formula C13H14F3N3S and a molecular weight of 301.34 g/mol. Its IUPAC name is 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine
PubChem CID133483685
Molecular FormulaC13H14F3N3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC Name6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine
SMILESCCC(Nc1cccc(C)n1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H14F3N3S/c1-3-9(18-11-6-4-5-8(2)17-11)12-19-10(7-20-12)13(14,15)16/h4-7,9H,3H2,1-2H3,(H,17,18)
InChIKeyBVCXPGXGBQFSHY-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-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 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine?
The IUPAC name of 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine (CID 133483685) is 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine is CCC(Nc1cccc(C)n1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine?
The InChIKey is BVCXPGXGBQFSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3S/c1-3-9(18-11-6-4-5-8(2)17-11)12-19-10(7-20-12)13(14,15)16/h4-7,9H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine?
6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine has a molecular weight of 301.34 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyridin-2-amine is sourced from PubChem (CID 133483685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).