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

C12H16F3N3S — CID 118970169

IUPAC2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine
SMILESCC1=CC(C2SC=C(N)N2C)=CN(C)C1C(F)(F)F
InChIInChI=1S/C12H16F3N3S/c1-7-4-8(11-18(3)9(16)6-19-11)5-17(2)10(7)12(13,14)15/h4-6,10-11H,16H2,1-3H3
InChIKeyPFMSLECBDRTILO-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.46
Rot. Bonds1

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

2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine (PubChem CID 118970169) has the molecular formula C12H16F3N3S and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine
PubChem CID118970169
Molecular FormulaC12H16F3N3S
Molecular Weight291.34 g/mol
Exact Mass291.10
IUPAC Name2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine
SMILESCC1=CC(C2SC=C(N)N2C)=CN(C)C1C(F)(F)F
InChIInChI=1S/C12H16F3N3S/c1-7-4-8(11-18(3)9(16)6-19-11)5-17(2)10(7)12(13,14)15/h4-6,10-11H,16H2,1-3H3
InChIKeyPFMSLECBDRTILO-UHFFFAOYSA-N
XLogP2.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-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]-3-methyl-2H-1,3-thiazol-4-amine?
The IUPAC name of 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine (CID 118970169) is 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine.
What is the SMILES notation for 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine?
The canonical SMILES for 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine is CC1=CC(C2SC=C(N)N2C)=CN(C)C1C(F)(F)F.
What is the InChIKey of 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine?
The InChIKey is PFMSLECBDRTILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3S/c1-7-4-8(11-18(3)9(16)6-19-11)5-17(2)10(7)12(13,14)15/h4-6,10-11H,16H2,1-3H3.
What are the key properties of 2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine?
2-[1,3-dimethyl-2-(trifluoromethyl)-2H-pyridin-5-yl]-3-methyl-2H-1,3-thiazol-4-amine has a molecular weight of 291.34 g/mol, XLogP of 2.46, 1 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]-3-methyl-2H-1,3-thiazol-4-amine is sourced from PubChem (CID 118970169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).