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

C19H22FN3OS — CID 30860489

IUPAC1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C19H22FN3OS/c20-16-5-1-14(2-6-16)11-19(24)23-9-7-22(8-10-23)12-18-21-17(13-25-18)15-3-4-15/h1-2,5-6,13,15H,3-4,7-12H2
InChIKeyOTSOWDMKJXWSDA-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.05
Rot. Bonds5

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

1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 30860489) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
PubChem CID30860489
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC Name1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C19H22FN3OS/c20-16-5-1-14(2-6-16)11-19(24)23-9-7-22(8-10-23)12-18-21-17(13-25-18)15-3-4-15/h1-2,5-6,13,15H,3-4,7-12H2
InChIKeyOTSOWDMKJXWSDA-UHFFFAOYSA-N
XLogP3.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone (CID 30860489) is 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCN(Cc2nc(C3CC3)cs2)CC1.
What is the InChIKey of 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is OTSOWDMKJXWSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c20-16-5-1-14(2-6-16)11-19(24)23-9-7-22(8-10-23)12-18-21-17(13-25-18)15-3-4-15/h1-2,5-6,13,15H,3-4,7-12H2.
What are the key properties of 1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone?
1-[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 359.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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-(4-fluorophenyl)ethanone is sourced from PubChem (CID 30860489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).