[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C16H15F3N6O2S — CID 119066336

IUPAC[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCC(c4ncon4)CC3)cs2)n1
InChIInChI=1S/C16H15F3N6O2S/c1-9-6-12(16(17,18)19)25(22-9)15-21-11(7-28-15)14(26)24-4-2-10(3-5-24)13-20-8-27-23-13/h6-8,10H,2-5H2,1H3
InChIKeyPSGMMKRIERCAAO-UHFFFAOYSA-N
MW412.40 g/mol
LogP3.06
Rot. Bonds3

About [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 119066336) has the molecular formula C16H15F3N6O2S and a molecular weight of 412.40 g/mol. Its IUPAC name is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID119066336
Molecular FormulaC16H15F3N6O2S
Molecular Weight412.40 g/mol
Exact Mass412.09
IUPAC Name[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCC(c4ncon4)CC3)cs2)n1
InChIInChI=1S/C16H15F3N6O2S/c1-9-6-12(16(17,18)19)25(22-9)15-21-11(7-28-15)14(26)24-4-2-10(3-5-24)13-20-8-27-23-13/h6-8,10H,2-5H2,1H3
InChIKeyPSGMMKRIERCAAO-UHFFFAOYSA-N
XLogP3.06
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 119066336) is [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCC(c4ncon4)CC3)cs2)n1.
What is the InChIKey of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is PSGMMKRIERCAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2S/c1-9-6-12(16(17,18)19)25(22-9)15-21-11(7-28-15)14(26)24-4-2-10(3-5-24)13-20-8-27-23-13/h6-8,10H,2-5H2,1H3.
What are the key properties of [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 412.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119066336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).