1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone

C16H20N4OS — CID 51090378

IUPAC1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCCC1CCCN(C(=O)Cc2csc(-c3ncccn3)n2)C1
InChIInChI=1S/C16H20N4OS/c1-2-12-5-3-8-20(10-12)14(21)9-13-11-22-16(19-13)15-17-6-4-7-18-15/h4,6-7,11-12H,2-3,5,8-10H2,1H3
InChIKeyKYPGLGMWYLZKAS-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.79
Rot. Bonds4

About 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone

1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 51090378) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID51090378
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCCC1CCCN(C(=O)Cc2csc(-c3ncccn3)n2)C1
InChIInChI=1S/C16H20N4OS/c1-2-12-5-3-8-20(10-12)14(21)9-13-11-22-16(19-13)15-17-6-4-7-18-15/h4,6-7,11-12H,2-3,5,8-10H2,1H3
InChIKeyKYPGLGMWYLZKAS-UHFFFAOYSA-N
XLogP2.79
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (CID 51090378) is 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is CCC1CCCN(C(=O)Cc2csc(-c3ncccn3)n2)C1.
What is the InChIKey of 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is KYPGLGMWYLZKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-2-12-5-3-8-20(10-12)14(21)9-13-11-22-16(19-13)15-17-6-4-7-18-15/h4,6-7,11-12H,2-3,5,8-10H2,1H3.
What are the key properties of 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 316.43 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 51090378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).