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

C8H10N2OS — CID 641865

IUPAC7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde
SMILESCC1=C(C=O)CN2CCSC2=N1
InChIInChI=1S/C8H10N2OS/c1-6-7(5-11)4-10-2-3-12-8(10)9-6/h5H,2-4H2,1H3
InChIKeyCUUANUDZADXPSC-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.88
Rot. Bonds1

About 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde

7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde (PubChem CID 641865) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde.

Molecular Properties

Compound Name7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde
PubChem CID641865
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde
SMILESCC1=C(C=O)CN2CCSC2=N1
InChIInChI=1S/C8H10N2OS/c1-6-7(5-11)4-10-2-3-12-8(10)9-6/h5H,2-4H2,1H3
InChIKeyCUUANUDZADXPSC-UHFFFAOYSA-N
XLogP0.88
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.88
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 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde (CID 641865) is 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde is CC1=C(C=O)CN2CCSC2=N1.
What is the InChIKey of 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde?
The InChIKey is CUUANUDZADXPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-6-7(5-11)4-10-2-3-12-8(10)9-6/h5H,2-4H2,1H3.
What are the key properties of 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde?
7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde has a molecular weight of 182.25 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,5-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 641865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).