3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde

C7H8N2OS — CID 11159552

IUPAC3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde
SMILESO=CC1=CN=C2SCCN2C1
InChIInChI=1S/C7H8N2OS/c10-5-6-3-8-7-9(4-6)1-2-11-7/h3,5H,1-2,4H2
InChIKeyAITYICXVQPVWFV-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.49
Rot. Bonds1

About 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde

3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde (PubChem CID 11159552) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde
PubChem CID11159552
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde
SMILESO=CC1=CN=C2SCCN2C1
InChIInChI=1S/C7H8N2OS/c10-5-6-3-8-7-9(4-6)1-2-11-7/h3,5H,1-2,4H2
InChIKeyAITYICXVQPVWFV-UHFFFAOYSA-N
XLogP0.49
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde (CID 11159552) is 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde is O=CC1=CN=C2SCCN2C1.
What is the InChIKey of 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde?
The InChIKey is AITYICXVQPVWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c10-5-6-3-8-7-9(4-6)1-2-11-7/h3,5H,1-2,4H2.
What are the key properties of 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde?
3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde has a molecular weight of 168.22 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 11159552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).