N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide

C17H22N6O2S — CID 51123230

IUPACN,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C17H22N6O2S/c1-21(2)15(25)11-22-6-8-23(9-7-22)14(24)10-13-12-26-17(20-13)16-18-4-3-5-19-16/h3-5,12H,6-11H2,1-2H3
InChIKeyZNVAKCDVNISFLB-UHFFFAOYSA-N
MW374.47 g/mol
LogP0.38
Rot. Bonds5

About N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide

N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 51123230) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID51123230
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC NameN,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1
InChIInChI=1S/C17H22N6O2S/c1-21(2)15(25)11-22-6-8-23(9-7-22)14(24)10-13-12-26-17(20-13)16-18-4-3-5-19-16/h3-5,12H,6-11H2,1-2H3
InChIKeyZNVAKCDVNISFLB-UHFFFAOYSA-N
XLogP0.38
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide (CID 51123230) is N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide is CN(C)C(=O)CN1CCN(C(=O)Cc2csc(-c3ncccn3)n2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is ZNVAKCDVNISFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-21(2)15(25)11-22-6-8-23(9-7-22)14(24)10-13-12-26-17(20-13)16-18-4-3-5-19-16/h3-5,12H,6-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 374.47 g/mol, XLogP of 0.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 51123230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).