2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C26H24N4O2S — CID 25095483

IUPAC2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C26H24N4O2S/c31-25(28-22-8-4-5-9-24(22)30-16-14-27-15-17-30)23-18-33-26(29-23)19-10-12-21(13-11-19)32-20-6-2-1-3-7-20/h1-13,18,27H,14-17H2,(H,28,31)
InChIKeyOUQPMWIHZDHEIU-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.26
Rot. Bonds6

About 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 25095483) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID25095483
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC Name2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C26H24N4O2S/c31-25(28-22-8-4-5-9-24(22)30-16-14-27-15-17-30)23-18-33-26(29-23)19-10-12-21(13-11-19)32-20-6-2-1-3-7-20/h1-13,18,27H,14-17H2,(H,28,31)
InChIKeyOUQPMWIHZDHEIU-UHFFFAOYSA-N
XLogP5.26
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 25095483) is 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCNCC1)c1csc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OUQPMWIHZDHEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c31-25(28-22-8-4-5-9-24(22)30-16-14-27-15-17-30)23-18-33-26(29-23)19-10-12-21(13-11-19)32-20-6-2-1-3-7-20/h1-13,18,27H,14-17H2,(H,28,31).
What are the key properties of 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25095483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).