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

C23H24FN5O3S — CID 18567643

IUPAC1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C23H24FN5O3S/c1-32-20-9-5-3-7-18(20)26-22(31)27-23-25-16(15-33-23)14-21(30)29-12-10-28(11-13-29)19-8-4-2-6-17(19)24/h2-9,15H,10-14H2,1H3,(H2,25,26,27,31)
InChIKeySYMJUCQVHNHUQB-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.83
Rot. Bonds6

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

1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea (PubChem CID 18567643) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
PubChem CID18567643
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC Name1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C23H24FN5O3S/c1-32-20-9-5-3-7-18(20)26-22(31)27-23-25-16(15-33-23)14-21(30)29-12-10-28(11-13-29)19-8-4-2-6-17(19)24/h2-9,15H,10-14H2,1H3,(H2,25,26,27,31)
InChIKeySYMJUCQVHNHUQB-UHFFFAOYSA-N
XLogP3.83
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-(2-methoxyphenyl)urea?
The IUPAC name of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea (CID 18567643) is 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1.
What is the InChIKey of 1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is SYMJUCQVHNHUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c1-32-20-9-5-3-7-18(20)26-22(31)27-23-25-16(15-33-23)14-21(30)29-12-10-28(11-13-29)19-8-4-2-6-17(19)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-(2-methoxyphenyl)urea?
1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 469.54 g/mol, XLogP of 3.83, 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-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 18567643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).