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

C25H23N5O2S — CID 25096256

IUPAC2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C25H23N5O2S/c31-24(28-21-16-27-11-10-23(21)30-14-12-26-13-15-30)22-17-33-25(29-22)18-6-8-20(9-7-18)32-19-4-2-1-3-5-19/h1-11,16-17,26H,12-15H2,(H,28,31)
InChIKeyWGUIULKHAJSSCI-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.66
Rot. Bonds6

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

2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 25096256) has the molecular formula C25H23N5O2S and a molecular weight of 457.56 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID25096256
Molecular FormulaC25H23N5O2S
Molecular Weight457.56 g/mol
Exact Mass457.16
IUPAC Name2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C25H23N5O2S/c31-24(28-21-16-27-11-10-23(21)30-14-12-26-13-15-30)22-17-33-25(29-22)18-6-8-20(9-7-18)32-19-4-2-1-3-5-19/h1-11,16-17,26H,12-15H2,(H,28,31)
InChIKeyWGUIULKHAJSSCI-UHFFFAOYSA-N
XLogP4.66
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095483
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25095743
2-(5-Benzofuranyl)-N-[4-(1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide
CID 25096004
IRAK inhibitor 6
CID 44449392
N-[2-Methoxy-4-(4-methyl-1-piperazinyl)phenyl]-2-(3-pyridinyl)-4-thiazolecarboxamide
CID 44449393
1-[[4-([1,3]Thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 44481854
2-(4-methoxy-3-methylphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70683919
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71098351
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71098352
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(3-ethoxy-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 44217681
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluoro-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 44217685

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide (CID 25096256) is 2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1csc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WGUIULKHAJSSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2S/c31-24(28-21-16-27-11-10-23(21)30-14-12-26-13-15-30)22-17-33-25(29-22)18-6-8-20(9-7-18)32-19-4-2-1-3-5-19/h1-11,16-17,26H,12-15H2,(H,28,31).
What are the key properties of 2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25096256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).