N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

C13H15F3N4S — CID 128992583

IUPACN-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC(F)(F)c1cn2c(n1)CCC(CNCc1cscn1)C2
InChIInChI=1S/C13H15F3N4S/c14-13(15,16)11-6-20-5-9(1-2-12(20)19-11)3-17-4-10-7-21-8-18-10/h6-9,17H,1-5H2
InChIKeyFHQFFBJMBFHUEC-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.71
Rot. Bonds4

About N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine

N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 128992583) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID128992583
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC(F)(F)c1cn2c(n1)CCC(CNCc1cscn1)C2
InChIInChI=1S/C13H15F3N4S/c14-13(15,16)11-6-20-5-9(1-2-12(20)19-11)3-17-4-10-7-21-8-18-10/h6-9,17H,1-5H2
InChIKeyFHQFFBJMBFHUEC-UHFFFAOYSA-N
XLogP2.71
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine 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 N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 128992583) is N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is FC(F)(F)c1cn2c(n1)CCC(CNCc1cscn1)C2.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is FHQFFBJMBFHUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c14-13(15,16)11-6-20-5-9(1-2-12(20)19-11)3-17-4-10-7-21-8-18-10/h6-9,17H,1-5H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 316.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 128992583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).