2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide

C16H21N5O2S — CID 71810057

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
SMILESCc1ncn(CC(=O)NC2CCN(c3nccs3)CC2)c(=O)c1C
InChIInChI=1S/C16H21N5O2S/c1-11-12(2)18-10-21(15(11)23)9-14(22)19-13-3-6-20(7-4-13)16-17-5-8-24-16/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,19,22)
InChIKeyVYLYJZZHJMVTQN-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.10
Rot. Bonds4

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide (PubChem CID 71810057) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
PubChem CID71810057
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide
SMILESCc1ncn(CC(=O)NC2CCN(c3nccs3)CC2)c(=O)c1C
InChIInChI=1S/C16H21N5O2S/c1-11-12(2)18-10-21(15(11)23)9-14(22)19-13-3-6-20(7-4-13)16-17-5-8-24-16/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,19,22)
InChIKeyVYLYJZZHJMVTQN-UHFFFAOYSA-N
XLogP1.10
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide (CID 71810057) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide is Cc1ncn(CC(=O)NC2CCN(c3nccs3)CC2)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
The InChIKey is VYLYJZZHJMVTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-11-12(2)18-10-21(15(11)23)9-14(22)19-13-3-6-20(7-4-13)16-17-5-8-24-16/h5,8,10,13H,3-4,6-7,9H2,1-2H3,(H,19,22).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 71810057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).