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

C18H16F3N5O2S — CID 53327928

IUPAC[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESCc1csc(N2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)n1
InChIInChI=1S/C18H16F3N5O2S/c1-11-10-29-17(22-11)26-7-5-25(6-8-26)15(27)13-4-2-3-12(9-13)14-23-16(28-24-14)18(19,20)21/h2-4,9-10H,5-8H2,1H3
InChIKeyLHVUAYXXVHTVHQ-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.48
Rot. Bonds3

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

[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (PubChem CID 53327928) has the molecular formula C18H16F3N5O2S and a molecular weight of 423.42 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
PubChem CID53327928
Molecular FormulaC18H16F3N5O2S
Molecular Weight423.42 g/mol
Exact Mass423.10
IUPAC Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
SMILESCc1csc(N2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)n1
InChIInChI=1S/C18H16F3N5O2S/c1-11-10-29-17(22-11)26-7-5-25(6-8-26)15(27)13-4-2-3-12(9-13)14-23-16(28-24-14)18(19,20)21/h2-4,9-10H,5-8H2,1H3
InChIKeyLHVUAYXXVHTVHQ-UHFFFAOYSA-N
XLogP3.48
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone (CID 53327928) is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is Cc1csc(N2CCN(C(=O)c3cccc(-c4noc(C(F)(F)F)n4)c3)CC2)n1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
The InChIKey is LHVUAYXXVHTVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2S/c1-11-10-29-17(22-11)26-7-5-25(6-8-26)15(27)13-4-2-3-12(9-13)14-23-16(28-24-14)18(19,20)21/h2-4,9-10H,5-8H2,1H3.
What are the key properties of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone?
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone has a molecular weight of 423.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone is sourced from PubChem (CID 53327928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).