6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C10H6N4OS2 — CID 63801735

IUPAC6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Sc2ccncn2)nc2sccn12
InChIInChI=1S/C10H6N4OS2/c15-5-7-9(13-10-14(7)3-4-16-10)17-8-1-2-11-6-12-8/h1-6H
InChIKeyRCSPUAOGXWNTNX-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.15
Rot. Bonds3

About 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 63801735) has the molecular formula C10H6N4OS2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID63801735
Molecular FormulaC10H6N4OS2
Molecular Weight262.32 g/mol
Exact Mass262.00
IUPAC Name6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Sc2ccncn2)nc2sccn12
InChIInChI=1S/C10H6N4OS2/c15-5-7-9(13-10-14(7)3-4-16-10)17-8-1-2-11-6-12-8/h1-6H
InChIKeyRCSPUAOGXWNTNX-UHFFFAOYSA-N
XLogP2.15
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.15
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 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 63801735) is 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(Sc2ccncn2)nc2sccn12.
What is the InChIKey of 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is RCSPUAOGXWNTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS2/c15-5-7-9(13-10-14(7)3-4-16-10)17-8-1-2-11-6-12-8/h1-6H.
What are the key properties of 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 262.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-4-ylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 63801735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).