N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

C19H22N6OS — CID 26570197

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H22N6OS/c1-2-25(19-22-15-6-3-4-7-16(15)27-19)17(26)14-23-10-12-24(13-11-23)18-20-8-5-9-21-18/h3-9H,2,10-14H2,1H3
InChIKeyTZOYKIIORMGNAT-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.26
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (PubChem CID 26570197) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
PubChem CID26570197
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1
InChIInChI=1S/C19H22N6OS/c1-2-25(19-22-15-6-3-4-7-16(15)27-19)17(26)14-23-10-12-24(13-11-23)18-20-8-5-9-21-18/h3-9H,2,10-14H2,1H3
InChIKeyTZOYKIIORMGNAT-UHFFFAOYSA-N
XLogP2.26
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 97321128
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N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 16563517
N,N-diethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide;oxalic acid
CID 651792
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide (CID 26570197) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is CCN(C(=O)CN1CCN(c2ncccn2)CC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is TZOYKIIORMGNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-2-25(19-22-15-6-3-4-7-16(15)27-19)17(26)14-23-10-12-24(13-11-23)18-20-8-5-9-21-18/h3-9H,2,10-14H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 382.49 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 26570197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).