1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea

C24H24FN5O3S — CID 41159447

IUPAC1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Nc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C24H24FN5O3S/c1-16(31)17-2-8-21(9-3-17)29-10-12-30(13-11-29)22(32)14-20-15-34-24(27-20)28-23(33)26-19-6-4-18(25)5-7-19/h2-9,15H,10-14H2,1H3,(H2,26,27,28,33)
InChIKeyJVWSJUSIMDRSLY-UHFFFAOYSA-N
MW481.55 g/mol
LogP4.02
Rot. Bonds6

About 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea

1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea (PubChem CID 41159447) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
PubChem CID41159447
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
SMILESCC(=O)c1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Nc4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C24H24FN5O3S/c1-16(31)17-2-8-21(9-3-17)29-10-12-30(13-11-29)22(32)14-20-15-34-24(27-20)28-23(33)26-19-6-4-18(25)5-7-19/h2-9,15H,10-14H2,1H3,(H2,26,27,28,33)
InChIKeyJVWSJUSIMDRSLY-UHFFFAOYSA-N
XLogP4.02
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 41159439
1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159437
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41160073
N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160012
1-cyclopentyl-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 18567749
1-(4-fluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922369
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
CID 41158642
N-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16827165
N-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41160022
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]ethanone
CID 30941122
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]ethanone
CID 30940520
N-(4-chlorophenyl)-2-[[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 16899261

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea (CID 41159447) is 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea is CC(=O)c1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Nc4ccc(F)cc4)n3)CC2)cc1.
What is the InChIKey of 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea?
The InChIKey is JVWSJUSIMDRSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-16(31)17-2-8-21(9-3-17)29-10-12-30(13-11-29)22(32)14-20-15-34-24(27-20)28-23(33)26-19-6-4-18(25)5-7-19/h2-9,15H,10-14H2,1H3,(H2,26,27,28,33).
What are the key properties of 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea?
1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea has a molecular weight of 481.55 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 41159447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).