1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide

C15H20N4O3S — CID 16868188

IUPAC1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
SMILESCc1cnc2n(c1=O)C(CC(=O)N1CCC(C(N)=O)CC1)CS2
InChIInChI=1S/C15H20N4O3S/c1-9-7-17-15-19(14(9)22)11(8-23-15)6-12(20)18-4-2-10(3-5-18)13(16)21/h7,10-11H,2-6,8H2,1H3,(H2,16,21)
InChIKeyHCNZGWHVJSWNGT-UHFFFAOYSA-N
MW336.42 g/mol
LogP0.31
Rot. Bonds3

About 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide

1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 16868188) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID16868188
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
SMILESCc1cnc2n(c1=O)C(CC(=O)N1CCC(C(N)=O)CC1)CS2
InChIInChI=1S/C15H20N4O3S/c1-9-7-17-15-19(14(9)22)11(8-23-15)6-12(20)18-4-2-10(3-5-18)13(16)21/h7,10-11H,2-6,8H2,1H3,(H2,16,21)
InChIKeyHCNZGWHVJSWNGT-UHFFFAOYSA-N
XLogP0.31
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide (CID 16868188) is 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide is Cc1cnc2n(c1=O)C(CC(=O)N1CCC(C(N)=O)CC1)CS2.
What is the InChIKey of 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is HCNZGWHVJSWNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-9-7-17-15-19(14(9)22)11(8-23-15)6-12(20)18-4-2-10(3-5-18)13(16)21/h7,10-11H,2-6,8H2,1H3,(H2,16,21).
What are the key properties of 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 16868188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).