1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone

C24H24F3N5O4S2 — CID 69210693

IUPAC1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone
SMILESCc1cc(S(=O)(=O)C(F)(F)F)nn1CC(=O)N1CCC(c2nc(-c3cc(C4=CCCC=C4)on3)cs2)CC1
InChIInChI=1S/C24H24F3N5O4S2/c1-15-11-21(38(34,35)24(25,26)27)29-32(15)13-22(33)31-9-7-17(8-10-31)23-28-19(14-37-23)18-12-20(36-30-18)16-5-3-2-4-6-16/h3,5-6,11-12,14,17H,2,4,7-10,13H2,1H3
InChIKeyVCEQOSQKMUNQNK-UHFFFAOYSA-N
MW567.62 g/mol
LogP4.74
Rot. Bonds6

About 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone

1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone (PubChem CID 69210693) has the molecular formula C24H24F3N5O4S2 and a molecular weight of 567.62 g/mol. Its IUPAC name is 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone
PubChem CID69210693
Molecular FormulaC24H24F3N5O4S2
Molecular Weight567.62 g/mol
Exact Mass567.12
IUPAC Name1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone
SMILESCc1cc(S(=O)(=O)C(F)(F)F)nn1CC(=O)N1CCC(c2nc(-c3cc(C4=CCCC=C4)on3)cs2)CC1
InChIInChI=1S/C24H24F3N5O4S2/c1-15-11-21(38(34,35)24(25,26)27)29-32(15)13-22(33)31-9-7-17(8-10-31)23-28-19(14-37-23)18-12-20(36-30-18)16-5-3-2-4-6-16/h3,5-6,11-12,14,17H,2,4,7-10,13H2,1H3
InChIKeyVCEQOSQKMUNQNK-UHFFFAOYSA-N
XLogP4.74
TPSA111.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.62
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone (CID 69210693) is 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone is Cc1cc(S(=O)(=O)C(F)(F)F)nn1CC(=O)N1CCC(c2nc(-c3cc(C4=CCCC=C4)on3)cs2)CC1.
What is the InChIKey of 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone?
The InChIKey is VCEQOSQKMUNQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O4S2/c1-15-11-21(38(34,35)24(25,26)27)29-32(15)13-22(33)31-9-7-17(8-10-31)23-28-19(14-37-23)18-12-20(36-30-18)16-5-3-2-4-6-16/h3,5-6,11-12,14,17H,2,4,7-10,13H2,1H3.
What are the key properties of 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone?
1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone has a molecular weight of 567.62 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-cyclohexa-1,5-dien-1-yl-1,2-oxazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethylsulfonyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 69210693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).