1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone

C19H22FN3O2S — CID 30860487

IUPAC1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCN(Cc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C19H22FN3O2S/c20-15-3-1-2-4-17(15)25-12-19(24)23-9-7-22(8-10-23)11-18-21-16(13-26-18)14-5-6-14/h1-4,13-14H,5-12H2
InChIKeyMKOQCIHJGBKGNG-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.88
Rot. Bonds6

About 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone

1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 30860487) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
PubChem CID30860487
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC Name1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCN(Cc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C19H22FN3O2S/c20-15-3-1-2-4-17(15)25-12-19(24)23-9-7-22(8-10-23)11-18-21-16(13-26-18)14-5-6-14/h1-4,13-14H,5-12H2
InChIKeyMKOQCIHJGBKGNG-UHFFFAOYSA-N
XLogP2.88
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone (CID 30860487) is 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone is O=C(COc1ccccc1F)N1CCN(Cc2nc(C3CC3)cs2)CC1.
What is the InChIKey of 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
The InChIKey is MKOQCIHJGBKGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c20-15-3-1-2-4-17(15)25-12-19(24)23-9-7-22(8-10-23)11-18-21-16(13-26-18)14-5-6-14/h1-4,13-14H,5-12H2.
What are the key properties of 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 375.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 30860487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).