1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone

C23H23FN4O2S — CID 27377898

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3csc(Nc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C23H23FN4O2S/c1-16(29)17-2-8-21(9-3-17)27-10-12-28(13-11-27)22(30)14-20-15-31-23(26-20)25-19-6-4-18(24)5-7-19/h2-9,15H,10-14H2,1H3,(H,25,26)
InChIKeyUSNBDHNPNSVPIV-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.12
Rot. Bonds6

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone (PubChem CID 27377898) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
PubChem CID27377898
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3csc(Nc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C23H23FN4O2S/c1-16(29)17-2-8-21(9-3-17)27-10-12-28(13-11-27)22(30)14-20-15-31-23(26-20)25-19-6-4-18(24)5-7-19/h2-9,15H,10-14H2,1H3,(H,25,26)
InChIKeyUSNBDHNPNSVPIV-UHFFFAOYSA-N
XLogP4.12
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone (CID 27377898) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)Cc3csc(Nc4ccc(F)cc4)n3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is USNBDHNPNSVPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-16(29)17-2-8-21(9-3-17)27-10-12-28(13-11-27)22(30)14-20-15-31-23(26-20)25-19-6-4-18(24)5-7-19/h2-9,15H,10-14H2,1H3,(H,25,26).
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 438.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 27377898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).