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

C14H17F3N4S — CID 129342728

IUPACN-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCN(Cc1nccs1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H17F3N4S/c1-20(9-13-18-4-5-22-13)6-10-2-3-12-19-11(14(15,16)17)8-21(12)7-10/h4-5,8,10H,2-3,6-7,9H2,1H3/t10-/m1/s1
InChIKeyUXCRZJTWWBDZDZ-SNVBAGLBSA-N
MW330.38 g/mol
LogP3.05
Rot. Bonds4

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

N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129342728) has the molecular formula C14H17F3N4S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129342728
Molecular FormulaC14H17F3N4S
Molecular Weight330.38 g/mol
Exact Mass330.11
IUPAC NameN-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCN(Cc1nccs1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H17F3N4S/c1-20(9-13-18-4-5-22-13)6-10-2-3-12-19-11(14(15,16)17)8-21(12)7-10/h4-5,8,10H,2-3,6-7,9H2,1H3/t10-/m1/s1
InChIKeyUXCRZJTWWBDZDZ-SNVBAGLBSA-N
XLogP3.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
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
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-(trifluoromethyl)-1,3-thiazole
CID 137986514
2-[1-[(1-Ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 69991067
[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-[6-[3-(Trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 65545691
5-[[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 71972868
5-(Imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 99839222
5-(Bromomethyl)-6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazole
CID 107084211

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129342728) is N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is CN(Cc1nccs1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is UXCRZJTWWBDZDZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F3N4S/c1-20(9-13-18-4-5-22-13)6-10-2-3-12-19-11(14(15,16)17)8-21(12)7-10/h4-5,8,10H,2-3,6-7,9H2,1H3/t10-/m1/s1.
What are the key properties of N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 330.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-ylmethyl)-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129342728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).