2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C23H21N5OS2 — CID 2499665

IUPAC2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H21N5OS2/c29-20(27-11-13-28(14-12-27)23-24-9-5-10-25-23)16-19-21(18-8-4-15-30-18)26-22(31-19)17-6-2-1-3-7-17/h1-10,15H,11-14,16H2
InChIKeyVCFUAUIYPFMSJG-UHFFFAOYSA-N
MW447.59 g/mol
LogP4.22
Rot. Bonds5

About 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 2499665) has the molecular formula C23H21N5OS2 and a molecular weight of 447.59 g/mol. Its IUPAC name is 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID2499665
Molecular FormulaC23H21N5OS2
Molecular Weight447.59 g/mol
Exact Mass447.12
IUPAC Name2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H21N5OS2/c29-20(27-11-13-28(14-12-27)23-24-9-5-10-25-23)16-19-21(18-8-4-15-30-18)26-22(31-19)17-6-2-1-3-7-17/h1-10,15H,11-14,16H2
InChIKeyVCFUAUIYPFMSJG-UHFFFAOYSA-N
XLogP4.22
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 55972076
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 119485358
tert-butyl N-[1-[2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]carbamate
CID 55972662
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542517
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
CID 7998369
(2,3-dithiophen-2-ylquinoxalin-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 129254431
2-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 69180187
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39080939
2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 51216012
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 30837593
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 50753784

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 2499665) is 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is VCFUAUIYPFMSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS2/c29-20(27-11-13-28(14-12-27)23-24-9-5-10-25-23)16-19-21(18-8-4-15-30-18)26-22(31-19)17-6-2-1-3-7-17/h1-10,15H,11-14,16H2.
What are the key properties of 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 447.59 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2499665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).