7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde

C6H5N3OS — CID 96632797

IUPAC7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde
SMILESNc1ncn2cc(C=O)sc12
InChIInChI=1S/C6H5N3OS/c7-5-6-9(3-8-5)1-4(2-10)11-6/h1-3H,7H2
InChIKeyKDWUPPAKMSKTCP-UHFFFAOYSA-N
MW167.19 g/mol
LogP0.79
Rot. Bonds1

About 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde

7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde (PubChem CID 96632797) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde.

Molecular Properties

Compound Name7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde
PubChem CID96632797
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC Name7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde
SMILESNc1ncn2cc(C=O)sc12
InChIInChI=1S/C6H5N3OS/c7-5-6-9(3-8-5)1-4(2-10)11-6/h1-3H,7H2
InChIKeyKDWUPPAKMSKTCP-UHFFFAOYSA-N
XLogP0.79
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
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 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
The IUPAC name of 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde (CID 96632797) is 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde.
What is the SMILES notation for 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
The canonical SMILES for 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde is Nc1ncn2cc(C=O)sc12.
What is the InChIKey of 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
The InChIKey is KDWUPPAKMSKTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c7-5-6-9(3-8-5)1-4(2-10)11-6/h1-3H,7H2.
What are the key properties of 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde?
7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde has a molecular weight of 167.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminoimidazo[5,1-b][1,3]thiazole-2-carbaldehyde is sourced from PubChem (CID 96632797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).