[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C18H20FN3O2S — CID 15984574

IUPAC[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(c2nc(-c3ccccc3F)cs2)CC1
InChIInChI=1S/C18H20FN3O2S/c19-14-5-2-1-4-13(14)15-12-25-18(20-15)22-9-7-21(8-10-22)17(23)16-6-3-11-24-16/h1-2,4-5,12,16H,3,6-11H2/t16-/m1/s1
InChIKeyKDFFKLHZXCNXEF-MRXNPFEDSA-N
MW361.44 g/mol
LogP2.78
Rot. Bonds3

About [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 15984574) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID15984574
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCN(c2nc(-c3ccccc3F)cs2)CC1
InChIInChI=1S/C18H20FN3O2S/c19-14-5-2-1-4-13(14)15-12-25-18(20-15)22-9-7-21(8-10-22)17(23)16-6-3-11-24-16/h1-2,4-5,12,16H,3,6-11H2/t16-/m1/s1
InChIKeyKDFFKLHZXCNXEF-MRXNPFEDSA-N
XLogP2.78
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 15984574) is [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C([C@H]1CCCO1)N1CCN(c2nc(-c3ccccc3F)cs2)CC1.
What is the InChIKey of [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is KDFFKLHZXCNXEF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c19-14-5-2-1-4-13(14)15-12-25-18(20-15)22-9-7-21(8-10-22)17(23)16-6-3-11-24-16/h1-2,4-5,12,16H,3,6-11H2/t16-/m1/s1.
What are the key properties of [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 361.44 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 15984574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).