N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C15H22N4O2S — CID 51080908

IUPACN-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CCCN(CCNC(=O)c2cnc3n(c2=O)CCS3)C1
InChIInChI=1S/C15H22N4O2S/c1-11-3-2-5-18(10-11)6-4-16-13(20)12-9-17-15-19(14(12)21)7-8-22-15/h9,11H,2-8,10H2,1H3,(H,16,20)
InChIKeyHTNYJNJHLVLITF-UHFFFAOYSA-N
MW322.43 g/mol
LogP0.81
Rot. Bonds4

About N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 51080908) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID51080908
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC NameN-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1CCCN(CCNC(=O)c2cnc3n(c2=O)CCS3)C1
InChIInChI=1S/C15H22N4O2S/c1-11-3-2-5-18(10-11)6-4-16-13(20)12-9-17-15-19(14(12)21)7-8-22-15/h9,11H,2-8,10H2,1H3,(H,16,20)
InChIKeyHTNYJNJHLVLITF-UHFFFAOYSA-N
XLogP0.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 51080908) is N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1CCCN(CCNC(=O)c2cnc3n(c2=O)CCS3)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is HTNYJNJHLVLITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-11-3-2-5-18(10-11)6-4-16-13(20)12-9-17-15-19(14(12)21)7-8-22-15/h9,11H,2-8,10H2,1H3,(H,16,20).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)ethyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 51080908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).