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

C15H13F3N6OS — CID 16670869

IUPAC1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C15H13F3N6OS/c16-15(17,18)13-21-14-19-4-1-11(24(14)22-13)9-2-5-23(6-3-9)12(25)10-7-26-8-20-10/h1,4,7-9H,2-3,5-6H2
InChIKeyDLIAJLYANCJSLW-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.62
Rot. Bonds2

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

1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone (PubChem CID 16670869) has the molecular formula C15H13F3N6OS and a molecular weight of 382.37 g/mol. Its IUPAC name is 1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
PubChem CID16670869
Molecular FormulaC15H13F3N6OS
Molecular Weight382.37 g/mol
Exact Mass382.08
IUPAC Name1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1
InChIInChI=1S/C15H13F3N6OS/c16-15(17,18)13-21-14-19-4-1-11(24(14)22-13)9-2-5-23(6-3-9)12(25)10-7-26-8-20-10/h1,4,7-9H,2-3,5-6H2
InChIKeyDLIAJLYANCJSLW-UHFFFAOYSA-N
XLogP2.62
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 135300257
[3-(1-Methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845535
2-(2-Methyl-1,3-thiazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132802
2-(2,4-Dimethyl-1,3-thiazol-5-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132838
[3-[7-(Difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110235258
(2-amino-1,3-thiazol-4-yl)-[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]methanone
CID 139482793
(5-Methyl-2-pyrimidin-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-[4-(trifluoromethyl)-1,3-thiazol-2-yl]methanone
CID 141725178
(2-bromo-1,3-thiazol-5-yl)-[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone
CID 155441440
2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 167179444
2-pyrazolo[1,5-a]pyrimidin-3-yl-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 167179446
[(3R,4S)-4-methyl-3-[5-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 169049570
1,3-Thiazol-4-yl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 16670087

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The IUPAC name of 1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone (CID 16670869) is 1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone is O=C(c1cscn1)N1CCC(c2ccnc3nc(C(F)(F)F)nn23)CC1.
What is the InChIKey of 1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
The InChIKey is DLIAJLYANCJSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6OS/c16-15(17,18)13-21-14-19-4-1-11(24(14)22-13)9-2-5-23(6-3-9)12(25)10-7-26-8-20-10/h1,4,7-9H,2-3,5-6H2.
What are the key properties of 1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone?
1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone has a molecular weight of 382.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl-[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 16670869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).