2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C17H22N4OS — CID 119886766

IUPAC2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCCc1cnc(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)s1
InChIInChI=1S/C17H22N4OS/c1-2-15-12-19-17(23-15)21-9-7-20(8-10-21)16(22)11-13-3-5-14(18)6-4-13/h3-6,12H,2,7-11,18H2,1H3
InChIKeyKMJXIWLDGQDLQD-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.18
Rot. Bonds4

About 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 119886766) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID119886766
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCCc1cnc(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)s1
InChIInChI=1S/C17H22N4OS/c1-2-15-12-19-17(23-15)21-9-7-20(8-10-21)16(22)11-13-3-5-14(18)6-4-13/h3-6,12H,2,7-11,18H2,1H3
InChIKeyKMJXIWLDGQDLQD-UHFFFAOYSA-N
XLogP2.18
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
(1-aminocyclohexyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119886813
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 136528222
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
(3-aminocyclopentyl)-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 119886774
2-(4-aminophenyl)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119842582
2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 119864315
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-2-phenylethanone
CID 133332976
2-(4-aminophenyl)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119844349
4-[2-(4-aminophenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 119718562
2-(4-aminophenyl)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119895978

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 119886766) is 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is CCc1cnc(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)s1.
What is the InChIKey of 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is KMJXIWLDGQDLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-2-15-12-19-17(23-15)21-9-7-20(8-10-21)16(22)11-13-3-5-14(18)6-4-13/h3-6,12H,2,7-11,18H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 330.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119886766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).