3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C16H22N4O2S — CID 46363971

IUPAC3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCCN3CCCCC3)c(=O)n12
InChIInChI=1S/C16H22N4O2S/c1-12-11-23-16-18-10-13(15(22)20(12)16)14(21)17-6-5-9-19-7-3-2-4-8-19/h10-11H,2-9H2,1H3,(H,17,21)
InChIKeyPGJURCNDRPDADH-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.67
Rot. Bonds5

About 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363971) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363971
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCCN3CCCCC3)c(=O)n12
InChIInChI=1S/C16H22N4O2S/c1-12-11-23-16-18-10-13(15(22)20(12)16)14(21)17-6-5-9-19-7-3-2-4-8-19/h10-11H,2-9H2,1H3,(H,17,21)
InChIKeyPGJURCNDRPDADH-UHFFFAOYSA-N
XLogP1.67
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363971) is 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCCN3CCCCC3)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is PGJURCNDRPDADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-11-23-16-18-10-13(15(22)20(12)16)14(21)17-6-5-9-19-7-3-2-4-8-19/h10-11H,2-9H2,1H3,(H,17,21).
What are the key properties of 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-N-(3-piperidin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).