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

C24H27N5O4S — CID 16809323

IUPAC1-(2-methoxyphenyl)-3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
SMILESCOc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Nc4ccccc4OC)n3)CC2)cc1
InChIInChI=1S/C24H27N5O4S/c1-32-19-9-7-18(8-10-19)28-11-13-29(14-12-28)22(30)15-17-16-34-24(25-17)27-23(31)26-20-5-3-4-6-21(20)33-2/h3-10,16H,11-15H2,1-2H3,(H2,25,26,27,31)
InChIKeyCWLOYLAAKJOSCN-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.70
Rot. Bonds7

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

1-(2-methoxyphenyl)-3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea (PubChem CID 16809323) 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-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
PubChem CID16809323
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name1-(2-methoxyphenyl)-3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
SMILESCOc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Nc4ccccc4OC)n3)CC2)cc1
InChIInChI=1S/C24H27N5O4S/c1-32-19-9-7-18(8-10-19)28-11-13-29(14-12-28)22(30)15-17-16-34-24(25-17)27-23(31)26-20-5-3-4-6-21(20)33-2/h3-10,16H,11-15H2,1-2H3,(H2,25,26,27,31)
InChIKeyCWLOYLAAKJOSCN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea (CID 16809323) is 1-(2-methoxyphenyl)-3-[4-[2-[4-(4-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-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea is COc1ccc(N2CCN(C(=O)Cc3csc(NC(=O)Nc4ccccc4OC)n3)CC2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is CWLOYLAAKJOSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-32-19-9-7-18(8-10-19)28-11-13-29(14-12-28)22(30)15-17-16-34-24(25-17)27-23(31)26-20-5-3-4-6-21(20)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-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea?
1-(2-methoxyphenyl)-3-[4-[2-[4-(4-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-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 16809323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).