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

C18H20FN3OS — CID 30860479

IUPAC[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C18H20FN3OS/c19-15-4-2-1-3-14(15)18(23)22-9-7-21(8-10-22)11-17-20-16(12-24-17)13-5-6-13/h1-4,12-13H,5-11H2
InChIKeyYBYNAGYEEHANSD-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.12
Rot. Bonds4

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

[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 30860479) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
PubChem CID30860479
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C18H20FN3OS/c19-15-4-2-1-3-14(15)18(23)22-9-7-21(8-10-22)11-17-20-16(12-24-17)13-5-6-13/h1-4,12-13H,5-11H2
InChIKeyYBYNAGYEEHANSD-UHFFFAOYSA-N
XLogP3.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone (CID 30860479) is [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCN(Cc2nc(C3CC3)cs2)CC1.
What is the InChIKey of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is YBYNAGYEEHANSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c19-15-4-2-1-3-14(15)18(23)22-9-7-21(8-10-22)11-17-20-16(12-24-17)13-5-6-13/h1-4,12-13H,5-11H2.
What are the key properties of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone?
[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 345.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 30860479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).