N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H19N5OS — CID 129251544

IUPACN-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3cncnc3)CC2)s1
InChIInChI=1S/C16H19N5OS/c1-12(22)20-16-19-9-15(23-16)10-21-4-2-13(3-5-21)6-14-7-17-11-18-8-14/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)
InChIKeyXUGXBJJTESVELK-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.57
Rot. Bonds4

About N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251544) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251544
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC NameN-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3cncnc3)CC2)s1
InChIInChI=1S/C16H19N5OS/c1-12(22)20-16-19-9-15(23-16)10-21-4-2-13(3-5-21)6-14-7-17-11-18-8-14/h6-9,11H,2-5,10H2,1H3,(H,19,20,22)
InChIKeyXUGXBJJTESVELK-UHFFFAOYSA-N
XLogP2.57
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251544) is N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3cncnc3)CC2)s1.
What is the InChIKey of N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XUGXBJJTESVELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-12(22)20-16-19-9-15(23-16)10-21-4-2-13(3-5-21)6-14-7-17-11-18-8-14/h6-9,11H,2-5,10H2,1H3,(H,19,20,22).
What are the key properties of N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(pyrimidin-5-ylmethylidene)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).