2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide

C17H25N5O2SSi — CID 11474814

IUPAC2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide
SMILESC[Si](C)(C)c1cnc(/C=C/c2cnc(NC(=O)CN3CCNCC3)s2)o1
InChIInChI=1S/C17H25N5O2SSi/c1-26(2,3)16-11-19-15(24-16)5-4-13-10-20-17(25-13)21-14(23)12-22-8-6-18-7-9-22/h4-5,10-11,18H,6-9,12H2,1-3H3,(H,20,21,23)/b5-4+
InChIKeyJZJJUHZKPSEWQM-SNAWJCMRSA-N
MW391.57 g/mol
LogP1.69
Rot. Bonds6

About 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide

2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 11474814) has the molecular formula C17H25N5O2SSi and a molecular weight of 391.57 g/mol. Its IUPAC name is 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID11474814
Molecular FormulaC17H25N5O2SSi
Molecular Weight391.57 g/mol
Exact Mass391.15
IUPAC Name2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide
SMILESC[Si](C)(C)c1cnc(/C=C/c2cnc(NC(=O)CN3CCNCC3)s2)o1
InChIInChI=1S/C17H25N5O2SSi/c1-26(2,3)16-11-19-15(24-16)5-4-13-10-20-17(25-13)21-14(23)12-22-8-6-18-7-9-22/h4-5,10-11,18H,6-9,12H2,1-3H3,(H,20,21,23)/b5-4+
InChIKeyJZJJUHZKPSEWQM-SNAWJCMRSA-N
XLogP1.69
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.57
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide (CID 11474814) is 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide is C[Si](C)(C)c1cnc(/C=C/c2cnc(NC(=O)CN3CCNCC3)s2)o1.
What is the InChIKey of 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JZJJUHZKPSEWQM-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H25N5O2SSi/c1-26(2,3)16-11-19-15(24-16)5-4-13-10-20-17(25-13)21-14(23)12-22-8-6-18-7-9-22/h4-5,10-11,18H,6-9,12H2,1-3H3,(H,20,21,23)/b5-4+.
What are the key properties of 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide?
2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 391.57 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11474814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).