2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole

C16H17F3N6S — CID 133387901

IUPAC2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCc1cc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n2ncnc2n1
InChIInChI=1S/C16H17F3N6S/c1-2-11-6-13(25-15(22-11)20-9-21-25)24-5-3-4-10(7-24)14-23-12(8-26-14)16(17,18)19/h6,8-10H,2-5,7H2,1H3
InChIKeyAEKRSSCAEBTFAF-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.55
Rot. Bonds3

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

2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133387901) has the molecular formula C16H17F3N6S and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133387901
Molecular FormulaC16H17F3N6S
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC Name2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCCc1cc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n2ncnc2n1
InChIInChI=1S/C16H17F3N6S/c1-2-11-6-13(25-15(22-11)20-9-21-25)24-5-3-4-10(7-24)14-23-12(8-26-14)16(17,18)19/h6,8-10H,2-5,7H2,1H3
InChIKeyAEKRSSCAEBTFAF-UHFFFAOYSA-N
XLogP3.55
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

US11186582, Example 193
CID 118471406
US11186582, Example 205
CID 118472347
US11186582, Example 202
CID 118472381
US11186582, Example 201
CID 126615658
2-[2-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823381
4-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104366
2-Methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56882695
N,N-dimethyl-2-[5-[(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride
CID 171343659
US11186582, Example 199
CID 118470986
US11186582, Example 194
CID 118472481
US11186582, Example 206
CID 126615650
5-isopropyl-N-{[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
CID 56881323

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 133387901) is 2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is CCc1cc(N2CCCC(c3nc(C(F)(F)F)cs3)C2)n2ncnc2n1.
What is the InChIKey of 2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is AEKRSSCAEBTFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6S/c1-2-11-6-13(25-15(22-11)20-9-21-25)24-5-3-4-10(7-24)14-23-12(8-26-14)16(17,18)19/h6,8-10H,2-5,7H2,1H3.
What are the key properties of 2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 382.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133387901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).