2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide

C16H19N5O3S — CID 135966346

IUPAC2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(C2CCN(C(=O)C(=O)Nc3nccs3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H19N5O3S/c1-2-12-18-11(9-13(22)19-12)10-3-6-21(7-4-10)15(24)14(23)20-16-17-5-8-25-16/h5,8-10H,2-4,6-7H2,1H3,(H,17,20,23)(H,18,19,22)
InChIKeyJIJQNXWBWXTPOV-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.13
Rot. Bonds3

About 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide

2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135966346) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135966346
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Name2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(C2CCN(C(=O)C(=O)Nc3nccs3)CC2)cc(=O)[nH]1
InChIInChI=1S/C16H19N5O3S/c1-2-12-18-11(9-13(22)19-12)10-3-6-21(7-4-10)15(24)14(23)20-16-17-5-8-25-16/h5,8-10H,2-4,6-7H2,1H3,(H,17,20,23)(H,18,19,22)
InChIKeyJIJQNXWBWXTPOV-UHFFFAOYSA-N
XLogP1.13
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide (CID 135966346) is 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide is CCc1nc(C2CCN(C(=O)C(=O)Nc3nccs3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is JIJQNXWBWXTPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-2-12-18-11(9-13(22)19-12)10-3-6-21(7-4-10)15(24)14(23)20-16-17-5-8-25-16/h5,8-10H,2-4,6-7H2,1H3,(H,17,20,23)(H,18,19,22).
What are the key properties of 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 361.43 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidin-1-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135966346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).