[4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone

C22H22FN3O2S — CID 9207300

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cs1
InChIInChI=1S/C22H22FN3O2S/c1-16-24-19(15-29-16)14-28-21-8-2-17(3-9-21)22(27)26-12-10-25(11-13-26)20-6-4-18(23)5-7-20/h2-9,15H,10-14H2,1H3
InChIKeySIECEUNMVPULQK-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.13
Rot. Bonds5

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

[4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone (PubChem CID 9207300) has the molecular formula C22H22FN3O2S and a molecular weight of 411.50 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
PubChem CID9207300
Molecular FormulaC22H22FN3O2S
Molecular Weight411.50 g/mol
Exact Mass411.14
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
SMILESCc1nc(COc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cs1
InChIInChI=1S/C22H22FN3O2S/c1-16-24-19(15-29-16)14-28-21-8-2-17(3-9-21)22(27)26-12-10-25(11-13-26)20-6-4-18(23)5-7-20/h2-9,15H,10-14H2,1H3
InChIKeySIECEUNMVPULQK-UHFFFAOYSA-N
XLogP4.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone (CID 9207300) is [4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone is Cc1nc(COc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)cc2)cs1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
The InChIKey is SIECEUNMVPULQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2S/c1-16-24-19(15-29-16)14-28-21-8-2-17(3-9-21)22(27)26-12-10-25(11-13-26)20-6-4-18(23)5-7-20/h2-9,15H,10-14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone has a molecular weight of 411.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 9207300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).