4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide

C22H22FN5O2S — CID 42208413

IUPAC4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C22H22FN5O2S/c23-17-6-4-16(5-7-17)21(30)26-22-25-18(15-31-22)8-9-20(29)28-13-11-27(12-14-28)19-3-1-2-10-24-19/h1-7,10,15H,8-9,11-14H2,(H,25,26,30)
InChIKeySJILFXJESZNIBH-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.21
Rot. Bonds6

About 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide

4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 42208413) has the molecular formula C22H22FN5O2S and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide
PubChem CID42208413
Molecular FormulaC22H22FN5O2S
Molecular Weight439.52 g/mol
Exact Mass439.15
IUPAC Name4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C22H22FN5O2S/c23-17-6-4-16(5-7-17)21(30)26-22-25-18(15-31-22)8-9-20(29)28-13-11-27(12-14-28)19-3-1-2-10-24-19/h1-7,10,15H,8-9,11-14H2,(H,25,26,30)
InChIKeySJILFXJESZNIBH-UHFFFAOYSA-N
XLogP3.21
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide (CID 42208413) is 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(CCC(=O)N2CCN(c3ccccn3)CC2)cs1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is SJILFXJESZNIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2S/c23-17-6-4-16(5-7-17)21(30)26-22-25-18(15-31-22)8-9-20(29)28-13-11-27(12-14-28)19-3-1-2-10-24-19/h1-7,10,15H,8-9,11-14H2,(H,25,26,30).
What are the key properties of 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42208413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).