1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea

C23H25N5O3S — CID 16809322

IUPAC1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1
InChIInChI=1S/C23H25N5O3S/c1-31-20-10-6-5-9-19(20)25-22(30)26-23-24-17(16-32-23)15-21(29)28-13-11-27(12-14-28)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3,(H2,24,25,26,30)
InChIKeyNBLBHHZNRGQSQN-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.69
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea

1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea (PubChem CID 16809322) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea
PubChem CID16809322
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1
InChIInChI=1S/C23H25N5O3S/c1-31-20-10-6-5-9-19(20)25-22(30)26-23-24-17(16-32-23)15-21(29)28-13-11-27(12-14-28)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3,(H2,24,25,26,30)
InChIKeyNBLBHHZNRGQSQN-UHFFFAOYSA-N
XLogP3.69
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
(+)-N6-(2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
CID 24866614
4'-Methyl-2'-(propionylamino)-2-(2-ethoxyanilino)-4,5'-bis(1,3-thiazole)
CID 1144665
2-(2-methoxyanilino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 2701314
[2-(4-Methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 4519833
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 11958501
4-[4-(3-Methoxy-phenyl)-thiazol-2-yl]-piperazine-1-carboxylic acid (2-methoxy-phenyl)-amide
CID 651034
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
N-(2-Methoxy-phenyl)-2-[2-(3-phenyl-thioureido)-thiazol-4-yl]-acetamide
CID 1169035
N-(2-Methoxy-phenyl)-2-[2-(3-p-tolyl-thioureido)-thiazol-4-yl]-acetamide
CID 3168636
N-(2-methoxyphenyl)-2-[2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168637
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-methylpentanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea (CID 16809322) is 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea is COc1ccccc1NC(=O)Nc1nc(CC(=O)N2CCN(c3ccccc3)CC2)cs1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is NBLBHHZNRGQSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-31-20-10-6-5-9-19(20)25-22(30)26-23-24-17(16-32-23)15-21(29)28-13-11-27(12-14-28)18-7-3-2-4-8-18/h2-10,16H,11-15H2,1H3,(H2,24,25,26,30).
What are the key properties of 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea?
1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 451.55 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 16809322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).