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

C23H24FN5O2S — CID 41158642

IUPAC1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1
InChIInChI=1S/C23H24FN5O2S/c1-16-6-8-17(9-7-16)25-22(31)27-23-26-18(15-32-23)14-21(30)29-12-10-28(11-13-29)20-5-3-2-4-19(20)24/h2-9,15H,10-14H2,1H3,(H2,25,26,27,31)
InChIKeyBVNQBOOLFUASIA-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.13
Rot. Bonds5

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

1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea (PubChem CID 41158642) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
PubChem CID41158642
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC Name1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1
InChIInChI=1S/C23H24FN5O2S/c1-16-6-8-17(9-7-16)25-22(31)27-23-26-18(15-32-23)14-21(30)29-12-10-28(11-13-29)20-5-3-2-4-19(20)24/h2-9,15H,10-14H2,1H3,(H2,25,26,27,31)
InChIKeyBVNQBOOLFUASIA-UHFFFAOYSA-N
XLogP4.13
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 110386231
1-(4-fluorophenyl)-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 41159439
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 73338863
1-[4-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159447
1-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 41159437
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110386746
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[[4-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 16899402
4-chloro-N-cyclopropyl-N-[2-[[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 4250046
1-[4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 27453540
1-(4-fluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922369
methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 43996922

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea (CID 41158642) is 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2nc(CC(=O)N3CCN(c4ccccc4F)CC3)cs2)cc1.
What is the InChIKey of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
The InChIKey is BVNQBOOLFUASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-16-6-8-17(9-7-16)25-22(31)27-23-26-18(15-32-23)14-21(30)29-12-10-28(11-13-29)20-5-3-2-4-19(20)24/h2-9,15H,10-14H2,1H3,(H2,25,26,27,31).
What are the key properties of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea?
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea has a molecular weight of 453.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 41158642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).