2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde

C14H15N3OS — CID 1474869

IUPAC2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C14H15N3OS/c18-11-13-10-15-14(19-13)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyIVISAIXHEPBZAH-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.28
Rot. Bonds3

About 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde

2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 1474869) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID1474869
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C14H15N3OS/c18-11-13-10-15-14(19-13)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2
InChIKeyIVISAIXHEPBZAH-UHFFFAOYSA-N
XLogP2.28
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde (CID 1474869) is 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(N2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is IVISAIXHEPBZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c18-11-13-10-15-14(19-13)17-8-6-16(7-9-17)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde?
2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 273.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 1474869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).