2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde

C11H12N4OS2 — CID 55114084

IUPAC2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C11H12N4OS2/c16-8-9-7-13-11(18-9)15-4-2-14(3-5-15)10-12-1-6-17-10/h1,6-8H,2-5H2
InChIKeyMAVRZAOACGSAFO-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.74
Rot. Bonds3

About 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde (PubChem CID 55114084) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
PubChem CID55114084
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C11H12N4OS2/c16-8-9-7-13-11(18-9)15-4-2-14(3-5-15)10-12-1-6-17-10/h1,6-8H,2-5H2
InChIKeyMAVRZAOACGSAFO-UHFFFAOYSA-N
XLogP1.74
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde (CID 55114084) is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(N2CCN(c3nccs3)CC2)s1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is MAVRZAOACGSAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c16-8-9-7-13-11(18-9)15-4-2-14(3-5-15)10-12-1-6-17-10/h1,6-8H,2-5H2.
What are the key properties of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde?
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde has a molecular weight of 280.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 55114084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).