2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

C20H22N4OS2 — CID 152797757

IUPAC2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(N2CCNCC2)sc1C(=O)Cc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C20H22N4OS2/c1-13-19(27-20(23-13)24-8-6-22-7-9-24)17(25)12-15-11-14(4-5-16(15)21)18-3-2-10-26-18/h2-5,10-11,22H,6-9,12,21H2,1H3
InChIKeySMOWNBOFACWPTE-UHFFFAOYSA-N
MW398.56 g/mol
LogP3.60
Rot. Bonds5

About 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone

2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 152797757) has the molecular formula C20H22N4OS2 and a molecular weight of 398.56 g/mol. Its IUPAC name is 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
PubChem CID152797757
Molecular FormulaC20H22N4OS2
Molecular Weight398.56 g/mol
Exact Mass398.12
IUPAC Name2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(N2CCNCC2)sc1C(=O)Cc1cc(-c2cccs2)ccc1N
InChIInChI=1S/C20H22N4OS2/c1-13-19(27-20(23-13)24-8-6-22-7-9-24)17(25)12-15-11-14(4-5-16(15)21)18-3-2-10-26-18/h2-5,10-11,22H,6-9,12,21H2,1H3
InChIKeySMOWNBOFACWPTE-UHFFFAOYSA-N
XLogP3.60
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone
CID 147071236
2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 161473158
2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;5-bromo-1,3-thiazole-2-carboxylic acid;tert-butyl 4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]-1,3-thiazol-5-yl]piperazine-1-carboxylate;methyl 5-bromo-1,3-thiazole-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylic acid
CID 158213576
2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone
CID 148807592
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 134535394
tert-butyl N-[2-[2-oxo-2-(7-piperazin-1-ylquinolin-3-yl)ethyl]-4-thiophen-2-ylphenyl]carbamate
CID 161218316
2-amino-5-thiophen-2-ylbenzoic acid
CID 16768750
2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate
CID 157237155
1-(4-phenyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 52903593
4-amino-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116668857
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone (CID 152797757) is 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is Cc1nc(N2CCNCC2)sc1C(=O)Cc1cc(-c2cccs2)ccc1N.
What is the InChIKey of 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is SMOWNBOFACWPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS2/c1-13-19(27-20(23-13)24-8-6-22-7-9-24)17(25)12-15-11-14(4-5-16(15)21)18-3-2-10-26-18/h2-5,10-11,22H,6-9,12,21H2,1H3.
What are the key properties of 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone?
2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 398.56 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 152797757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).