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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Related Compounds

6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63802355
6-(2,5-dichlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63802182
6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 20982629
6-(3-hydroxybutan-2-ylsulfanyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107772122
6-(1,2,4-triazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43475639
N-(3,4-dimethylphenyl)-2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
CID 40517031
6-(4-bromophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 712406
3-[[2-(5-formylimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetyl]amino]propanoic acid
CID 39165173
4-pyrimidin-4-ylsulfanylbenzaldehyde
CID 63802248
6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3747079
6-[methyl(1,3-thiazol-4-ylmethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 55013505
6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43479767

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).