1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone

C26H23F3N4O2S2 — CID 3865592

IUPAC1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(C(=O)CSc3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C26H23F3N4O2S2/c1-16-23(24(32-35-16)17-5-3-2-4-6-17)20-14-37-25(31-20)18-9-11-33(12-10-18)22(34)15-36-21-8-7-19(13-30-21)26(27,28)29/h2-8,13-14,18H,9-12,15H2,1H3
InChIKeySBVMXQUHYZMJRP-UHFFFAOYSA-N
MW544.62 g/mol
LogP6.69
Rot. Bonds6

About 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone

1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (PubChem CID 3865592) has the molecular formula C26H23F3N4O2S2 and a molecular weight of 544.62 g/mol. Its IUPAC name is 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
PubChem CID3865592
Molecular FormulaC26H23F3N4O2S2
Molecular Weight544.62 g/mol
Exact Mass544.12
IUPAC Name1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
SMILESCc1onc(-c2ccccc2)c1-c1csc(C2CCN(C(=O)CSc3ccc(C(F)(F)F)cn3)CC2)n1
InChIInChI=1S/C26H23F3N4O2S2/c1-16-23(24(32-35-16)17-5-3-2-4-6-17)20-14-37-25(31-20)18-9-11-33(12-10-18)22(34)15-36-21-8-7-19(13-30-21)26(27,28)29/h2-8,13-14,18H,9-12,15H2,1H3
InChIKeySBVMXQUHYZMJRP-UHFFFAOYSA-N
XLogP6.69
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.62
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The IUPAC name of 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone (CID 3865592) is 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone.
What is the SMILES notation for 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The canonical SMILES for 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is Cc1onc(-c2ccccc2)c1-c1csc(C2CCN(C(=O)CSc3ccc(C(F)(F)F)cn3)CC2)n1.
What is the InChIKey of 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
The InChIKey is SBVMXQUHYZMJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2S2/c1-16-23(24(32-35-16)17-5-3-2-4-6-17)20-14-37-25(31-20)18-9-11-33(12-10-18)22(34)15-36-21-8-7-19(13-30-21)26(27,28)29/h2-8,13-14,18H,9-12,15H2,1H3.
What are the key properties of 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone?
1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone has a molecular weight of 544.62 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone is sourced from PubChem (CID 3865592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).