[4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C13H18FN3O2S — CID 126856154

IUPAC[4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(C3COCC3F)CC2)cs1
InChIInChI=1S/C13H18FN3O2S/c1-9-15-11(8-20-9)13(18)17-4-2-16(3-5-17)12-7-19-6-10(12)14/h8,10,12H,2-7H2,1H3
InChIKeyOWIAXHIGRVWMKK-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.95
Rot. Bonds2

About [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 126856154) has the molecular formula C13H18FN3O2S and a molecular weight of 299.37 g/mol. Its IUPAC name is [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID126856154
Molecular FormulaC13H18FN3O2S
Molecular Weight299.37 g/mol
Exact Mass299.11
IUPAC Name[4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCN(C3COCC3F)CC2)cs1
InChIInChI=1S/C13H18FN3O2S/c1-9-15-11(8-20-9)13(18)17-4-2-16(3-5-17)12-7-19-6-10(12)14/h8,10,12H,2-7H2,1H3
InChIKeyOWIAXHIGRVWMKK-UHFFFAOYSA-N
XLogP0.95
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 126856154) is [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCN(C3COCC3F)CC2)cs1.
What is the InChIKey of [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is OWIAXHIGRVWMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2S/c1-9-15-11(8-20-9)13(18)17-4-2-16(3-5-17)12-7-19-6-10(12)14/h8,10,12H,2-7H2,1H3.
What are the key properties of [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?
[4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorooxolan-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 126856154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).