1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

C16H19N5O2S — CID 70710636

IUPAC1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCN1CC(C(=O)NCc2csc(-c3ncccn3)n2)CCC1=O
InChIInChI=1S/C16H19N5O2S/c1-2-21-9-11(4-5-13(21)22)15(23)19-8-12-10-24-16(20-12)14-17-6-3-7-18-14/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,19,23)
InChIKeyHBHXHHOCQZHGPE-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.47
Rot. Bonds5

About 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide

1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 70710636) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID70710636
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC Name1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCCN1CC(C(=O)NCc2csc(-c3ncccn3)n2)CCC1=O
InChIInChI=1S/C16H19N5O2S/c1-2-21-9-11(4-5-13(21)22)15(23)19-8-12-10-24-16(20-12)14-17-6-3-7-18-14/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,19,23)
InChIKeyHBHXHHOCQZHGPE-UHFFFAOYSA-N
XLogP1.47
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide (CID 70710636) is 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is CCN1CC(C(=O)NCc2csc(-c3ncccn3)n2)CCC1=O.
What is the InChIKey of 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is HBHXHHOCQZHGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-2-21-9-11(4-5-13(21)22)15(23)19-8-12-10-24-16(20-12)14-17-6-3-7-18-14/h3,6-7,10-11H,2,4-5,8-9H2,1H3,(H,19,23).
What are the key properties of 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide?
1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 345.43 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxo-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 70710636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).