6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C18H18F3N7S — CID 110245300

IUPAC6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CN1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1
InChIInChI=1S/C18H18F3N7S/c1-11-14(27-5-6-29-17(27)24-11)9-26-4-2-3-12(8-26)13-7-15(18(19,20)21)28-16(25-13)22-10-23-28/h5-7,10,12H,2-4,8-9H2,1H3
InChIKeyWVYKDZQUQQYZBI-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.54
Rot. Bonds3

About 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 110245300) has the molecular formula C18H18F3N7S and a molecular weight of 421.45 g/mol. Its IUPAC name is 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID110245300
Molecular FormulaC18H18F3N7S
Molecular Weight421.45 g/mol
Exact Mass421.13
IUPAC Name6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nc2sccn2c1CN1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1
InChIInChI=1S/C18H18F3N7S/c1-11-14(27-5-6-29-17(27)24-11)9-26-4-2-3-12(8-26)13-7-15(18(19,20)21)28-16(25-13)22-10-23-28/h5-7,10,12H,2-4,8-9H2,1H3
InChIKeyWVYKDZQUQQYZBI-UHFFFAOYSA-N
XLogP3.54
TPSA63.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

2-[7-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 129051755
2-[7-[[2-(3-Fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
CID 11293063
2-[1-[(2-Methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]imidazol-2-yl]-1,3-thiazole
CID 11416499
US11186582, Example 193
CID 118471406
US11186582, Example 202
CID 118472381
US11186582, Example 201
CID 126615658
6-[[2-(1,3,5-Trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 72043883
US11186582, Example 119
CID 118471377
US11186582, Example 194
CID 118472481
US11186582, Example 123
CID 118472611
6-(2,4-Difluorophenyl)-5-(3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)imidazo[2,1-b]thiazole
CID 57929952
[(1S,2S,5S)-2-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-8-azabicyclo[3.2.1]octan-8-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
CID 139482449

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 110245300) is 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is Cc1nc2sccn2c1CN1CCCC(c2cc(C(F)(F)F)n3ncnc3n2)C1.
What is the InChIKey of 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is WVYKDZQUQQYZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N7S/c1-11-14(27-5-6-29-17(27)24-11)9-26-4-2-3-12(8-26)13-7-15(18(19,20)21)28-16(25-13)22-10-23-28/h5-7,10,12H,2-4,8-9H2,1H3.
What are the key properties of 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 421.45 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 110245300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).