1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde

C14H17N3O2S — CID 62655900

IUPAC1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde
SMILESCc1csc2nc(CN3CCCCC3C=O)cc(=O)n12
InChIInChI=1S/C14H17N3O2S/c1-10-9-20-14-15-11(6-13(19)17(10)14)7-16-5-3-2-4-12(16)8-18/h6,8-9,12H,2-5,7H2,1H3
InChIKeyZIZNTOMOXYGZFJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.62
Rot. Bonds3

About 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde

1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde (PubChem CID 62655900) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde
PubChem CID62655900
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde
SMILESCc1csc2nc(CN3CCCCC3C=O)cc(=O)n12
InChIInChI=1S/C14H17N3O2S/c1-10-9-20-14-15-11(6-13(19)17(10)14)7-16-5-3-2-4-12(16)8-18/h6,8-9,12H,2-5,7H2,1H3
InChIKeyZIZNTOMOXYGZFJ-UHFFFAOYSA-N
XLogP1.62
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde?
The IUPAC name of 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde (CID 62655900) is 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde.
What is the SMILES notation for 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde?
The canonical SMILES for 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde is Cc1csc2nc(CN3CCCCC3C=O)cc(=O)n12.
What is the InChIKey of 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde?
The InChIKey is ZIZNTOMOXYGZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-9-20-14-15-11(6-13(19)17(10)14)7-16-5-3-2-4-12(16)8-18/h6,8-9,12H,2-5,7H2,1H3.
What are the key properties of 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde?
1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde has a molecular weight of 291.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-2-carbaldehyde is sourced from PubChem (CID 62655900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).