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

C13H15F3N4S — CID 129006825

IUPACN-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC(F)(F)c1cn2c(n1)CCC(CNCc1cncs1)C2
InChIInChI=1S/C13H15F3N4S/c14-13(15,16)11-7-20-6-9(1-2-12(20)19-11)3-17-4-10-5-18-8-21-10/h5,7-9,17H,1-4,6H2
InChIKeyXQUHPHWEJHUVDB-UHFFFAOYSA-N
MW316.35 g/mol
LogP2.71
Rot. Bonds4

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

N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129006825) has the molecular formula C13H15F3N4S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129006825
Molecular FormulaC13H15F3N4S
Molecular Weight316.35 g/mol
Exact Mass316.10
IUPAC NameN-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESFC(F)(F)c1cn2c(n1)CCC(CNCc1cncs1)C2
InChIInChI=1S/C13H15F3N4S/c14-13(15,16)11-7-20-6-9(1-2-12(20)19-11)3-17-4-10-5-18-8-21-10/h5,7-9,17H,1-4,6H2
InChIKeyXQUHPHWEJHUVDB-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

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Related Compounds

N,N-diethyl-5-[(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 71929157
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929172
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl)methanamine
CID 71929200
1-[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 97002923
5-[[[(8R)-2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methylamino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 97074509
2-(8-Methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 166082362
[6-[4-(Trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 65537332
N-methyl-1-[6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 65538662
N-methyl-1-[6-[4-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 65538672
[6-[3-(Trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 65538863
2-methyl-4-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 71999806
5-(5,6,7,8-Tetrahydroimidazo[1,2-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106783862

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129006825) is N-(1,3-thiazol-5-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-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is FC(F)(F)c1cn2c(n1)CCC(CNCc1cncs1)C2.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is XQUHPHWEJHUVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4S/c14-13(15,16)11-7-20-6-9(1-2-12(20)19-11)3-17-4-10-5-18-8-21-10/h5,7-9,17H,1-4,6H2.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-(1,3-thiazol-5-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-5-ylmethyl)-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129006825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).