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

C14H18N4O3S — CID 16867857

IUPAC1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1
InChIInChI=1S/C14H18N4O3S/c15-13(21)9-2-5-17(6-3-9)12(20)7-10-8-22-14-16-4-1-11(19)18(10)14/h1,4,9-10H,2-3,5-8H2,(H2,15,21)
InChIKeyAHIVVTMMUGQPTN-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.00
Rot. Bonds3

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

1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 16867857) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID16867857
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1
InChIInChI=1S/C14H18N4O3S/c15-13(21)9-2-5-17(6-3-9)12(20)7-10-8-22-14-16-4-1-11(19)18(10)14/h1,4,9-10H,2-3,5-8H2,(H2,15,21)
InChIKeyAHIVVTMMUGQPTN-UHFFFAOYSA-N
XLogP0.00
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide (CID 16867857) is 1-[2-(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-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CC2CSc3nccc(=O)n32)CC1.
What is the InChIKey of 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is AHIVVTMMUGQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c15-13(21)9-2-5-17(6-3-9)12(20)7-10-8-22-14-16-4-1-11(19)18(10)14/h1,4,9-10H,2-3,5-8H2,(H2,15,21).
What are the key properties of 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide?
1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 16867857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).