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

C14H17F3N4S — CID 129001388

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1csc(CNCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C14H17F3N4S/c1-9-8-22-13(19-9)5-18-4-10-2-3-12-20-11(14(15,16)17)7-21(12)6-10/h7-8,10,18H,2-6H2,1H3
InChIKeyMNNWJOIEIWGBPZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.02
Rot. Bonds4

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

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 129001388) has the molecular formula C14H17F3N4S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID129001388
Molecular FormulaC14H17F3N4S
Molecular Weight330.38 g/mol
Exact Mass330.11
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
SMILESCc1csc(CNCC2CCc3nc(C(F)(F)F)cn3C2)n1
InChIInChI=1S/C14H17F3N4S/c1-9-8-22-13(19-9)5-18-4-10-2-3-12-20-11(14(15,16)17)7-21(12)6-10/h7-8,10,18H,2-6H2,1H3
InChIKeyMNNWJOIEIWGBPZ-UHFFFAOYSA-N
XLogP3.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.02
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
N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97467574
1-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
CID 95598147
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
1-methyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97814028
2-(8-Methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-3-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 166082362
N-methyl-1-[6-[3-(trifluoromethyl)piperidin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 65538662
2-methyl-4-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 71999806
3-imidazol-1-yl-N',4-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109762572

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine (CID 129001388) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is Cc1csc(CNCC2CCc3nc(C(F)(F)F)cn3C2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is MNNWJOIEIWGBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4S/c1-9-8-22-13(19-9)5-18-4-10-2-3-12-20-11(14(15,16)17)7-21(12)6-10/h7-8,10,18H,2-6H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[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 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 129001388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).