4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide

C23H25N5O3S — CID 3223640

IUPAC4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C23H25N5O3S/c1-31-19-9-7-18(8-10-19)22(30)26-25-21(29)15-27-11-13-28(14-12-27)23-24-20(16-32-23)17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyXJRBPZRIRNXNIU-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.40
Rot. Bonds6

About 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide

4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide (PubChem CID 3223640) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
PubChem CID3223640
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1
InChIInChI=1S/C23H25N5O3S/c1-31-19-9-7-18(8-10-19)22(30)26-25-21(29)15-27-11-13-28(14-12-27)23-24-20(16-32-23)17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyXJRBPZRIRNXNIU-UHFFFAOYSA-N
XLogP2.40
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-[2-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]propanehydrazide
CID 1447479
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
4-methoxy-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]acetyl]benzamide
CID 47542959
ethyl 4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 676265
ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate
CID 3223649
ethyl 4-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]ethoxy]benzoate
CID 142759916
N-(2,5-dichlorophenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1447590
2-(4-ethylpiperazin-1-yl)-4-phenyl-1,3-thiazole
CID 102103813
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
N-(4-ethoxyphenyl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1438337
2-methyl-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]propanehydrazide
CID 7435853
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
CID 10552476

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide?
The IUPAC name of 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide (CID 3223640) is 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide.
What is the SMILES notation for 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide?
The canonical SMILES for 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide is COc1ccc(C(=O)NNC(=O)CN2CCN(c3nc(-c4ccccc4)cs3)CC2)cc1.
What is the InChIKey of 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide?
The InChIKey is XJRBPZRIRNXNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-31-19-9-7-18(8-10-19)22(30)26-25-21(29)15-27-11-13-28(14-12-27)23-24-20(16-32-23)17-5-3-2-4-6-17/h2-10,16H,11-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide?
4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide has a molecular weight of 451.55 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]acetyl]benzohydrazide is sourced from PubChem (CID 3223640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).