[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone

C16H18FN3O2S — CID 24712828

IUPAC[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(COc3cccc(F)c3)n2)CC1
InChIInChI=1S/C16H18FN3O2S/c1-19-5-7-20(8-6-19)16(21)14-11-23-15(18-14)10-22-13-4-2-3-12(17)9-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyNOFQHHQSAUIEJL-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.25
Rot. Bonds4

About [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 24712828) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID24712828
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(COc3cccc(F)c3)n2)CC1
InChIInChI=1S/C16H18FN3O2S/c1-19-5-7-20(8-6-19)16(21)14-11-23-15(18-14)10-22-13-4-2-3-12(17)9-13/h2-4,9,11H,5-8,10H2,1H3
InChIKeyNOFQHHQSAUIEJL-UHFFFAOYSA-N
XLogP2.25
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 24712828) is [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2csc(COc3cccc(F)c3)n2)CC1.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NOFQHHQSAUIEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-19-5-7-20(8-6-19)16(21)14-11-23-15(18-14)10-22-13-4-2-3-12(17)9-13/h2-4,9,11H,5-8,10H2,1H3.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 335.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 24712828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).