2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

C15H19N5O2S — CID 56796771

IUPAC2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H19N5O2S/c1-22-10-13(21)20-7-5-19(6-8-20)9-12-11-23-15(18-12)14-16-3-2-4-17-14/h2-4,11H,5-10H2,1H3
InChIKeyISMSRBYRQCQQJL-UHFFFAOYSA-N
MW333.42 g/mol
LogP0.89
Rot. Bonds5

About 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 56796771) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID56796771
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCOCC(=O)N1CCN(Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C15H19N5O2S/c1-22-10-13(21)20-7-5-19(6-8-20)9-12-11-23-15(18-12)14-16-3-2-4-17-14/h2-4,11H,5-10H2,1H3
InChIKeyISMSRBYRQCQQJL-UHFFFAOYSA-N
XLogP0.89
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 56796771) is 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is COCC(=O)N1CCN(Cc2csc(-c3ncccn3)n2)CC1.
What is the InChIKey of 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is ISMSRBYRQCQQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-22-10-13(21)20-7-5-19(6-8-20)9-12-11-23-15(18-12)14-16-3-2-4-17-14/h2-4,11H,5-10H2,1H3.
What are the key properties of 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 333.42 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56796771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).