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

C15H20N4O2S — CID 46363961

IUPAC3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCN3CCCCC3)c(=O)n12
InChIInChI=1S/C15H20N4O2S/c1-11-10-22-15-17-9-12(14(21)19(11)15)13(20)16-5-8-18-6-3-2-4-7-18/h9-10H,2-8H2,1H3,(H,16,20)
InChIKeyCKXHBIVYVZIGCA-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.28
Rot. Bonds4

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

3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 46363961) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID46363961
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)NCCN3CCCCC3)c(=O)n12
InChIInChI=1S/C15H20N4O2S/c1-11-10-22-15-17-9-12(14(21)19(11)15)13(20)16-5-8-18-6-3-2-4-7-18/h9-10H,2-8H2,1H3,(H,16,20)
InChIKeyCKXHBIVYVZIGCA-UHFFFAOYSA-N
XLogP1.28
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 46363961) is 3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)NCCN3CCCCC3)c(=O)n12.
What is the InChIKey of 3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is CKXHBIVYVZIGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-11-10-22-15-17-9-12(14(21)19(11)15)13(20)16-5-8-18-6-3-2-4-7-18/h9-10H,2-8H2,1H3,(H,16,20).
What are the key properties of 3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-methyl-5-oxo-N-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.28, 4 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-(2-piperidin-1-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46363961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).