2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

C19H17N5OS2 — CID 55456166

IUPAC2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C19H17N5OS2/c20-11-14-2-1-4-21-18(14)24-7-5-23(6-8-24)17(25)10-16-13-27-19(22-16)15-3-9-26-12-15/h1-4,9,12-13H,5-8,10H2
InChIKeyVOQYEFWUFOYKDJ-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.03
Rot. Bonds4

About 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 55456166) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID55456166
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1
InChIInChI=1S/C19H17N5OS2/c20-11-14-2-1-4-21-18(14)24-7-5-23(6-8-24)17(25)10-16-13-27-19(22-16)15-3-9-26-12-15/h1-4,9,12-13H,5-8,10H2
InChIKeyVOQYEFWUFOYKDJ-UHFFFAOYSA-N
XLogP3.03
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

1-[4-(2-nitrophenyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 26782988
1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]-1,4-diazepan-5-one
CID 62047463
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39080939
2-[4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 17424248
1-(4-pyridin-4-ylpiperazin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
CID 51120580
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 30837593
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 46470794
N-cyclopropyl-2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
CID 17444952
2-[1-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]azetidin-3-yl]acetic acid
CID 64605186
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 31794244
1-(1,2-oxazolidin-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 113375701
2-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110397273

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 55456166) is 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C(=O)Cc2csc(-c3ccsc3)n2)CC1.
What is the InChIKey of 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VOQYEFWUFOYKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c20-11-14-2-1-4-21-18(14)24-7-5-23(6-8-24)17(25)10-16-13-27-19(22-16)15-3-9-26-12-15/h1-4,9,12-13H,5-8,10H2.
What are the key properties of 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 395.51 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 55456166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).