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

C24H27N5O4S — CID 16809324

IUPAC1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3OC)CC2)cs1
InChIInChI=1S/C24H27N5O4S/c1-32-20-9-5-3-7-18(20)26-23(31)27-24-25-17(16-34-24)15-22(30)29-13-11-28(12-14-29)19-8-4-6-10-21(19)33-2/h3-10,16H,11-15H2,1-2H3,(H2,25,26,27,31)
InChIKeyRUJSHAUPVUAXDM-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.70
Rot. Bonds7

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

1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea (PubChem CID 16809324) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
PubChem CID16809324
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3OC)CC2)cs1
InChIInChI=1S/C24H27N5O4S/c1-32-20-9-5-3-7-18(20)26-23(31)27-24-25-17(16-34-24)15-22(30)29-13-11-28(12-14-29)19-8-4-6-10-21(19)33-2/h3-10,16H,11-15H2,1-2H3,(H2,25,26,27,31)
InChIKeyRUJSHAUPVUAXDM-UHFFFAOYSA-N
XLogP3.70
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea (CID 16809324) is 1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea is COc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3OC)CC2)cs1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is RUJSHAUPVUAXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-32-20-9-5-3-7-18(20)26-23(31)27-24-25-17(16-34-24)15-22(30)29-13-11-28(12-14-29)19-8-4-6-10-21(19)33-2/h3-10,16H,11-15H2,1-2H3,(H2,25,26,27,31).
What are the key properties of 1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?
1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 481.58 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 16809324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).