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

C18H24N4OS — CID 119864315

IUPAC2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCc1nc(CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)cs1
InChIInChI=1S/C18H24N4OS/c1-2-17-20-16(13-24-17)12-21-7-9-22(10-8-21)18(23)11-14-3-5-15(19)6-4-14/h3-6,13H,2,7-12,19H2,1H3
InChIKeyNVPNTXIDNOVCIA-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.17
Rot. Bonds5

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

2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 119864315) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID119864315
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCc1nc(CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)cs1
InChIInChI=1S/C18H24N4OS/c1-2-17-20-16(13-24-17)12-21-7-9-22(10-8-21)18(23)11-14-3-5-15(19)6-4-14/h3-6,13H,2,7-12,19H2,1H3
InChIKeyNVPNTXIDNOVCIA-UHFFFAOYSA-N
XLogP2.17
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.17
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'}

Analyze 2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 120612711
(E)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 60578284
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119864313
5-bromo-N-[2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 56580342
2-(4-aminophenyl)-1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119882434
1-(4-ethylphenyl)-4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 60578396
1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]propan-1-one
CID 28917407
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzamide
CID 55542243
2-(4-aminophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 16773079
2-(4-aminophenyl)-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119886766
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butane-1,4-dione
CID 56562821
2-(4-aminophenyl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 119832324

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 119864315) is 2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is CCc1nc(CN2CCN(C(=O)Cc3ccc(N)cc3)CC2)cs1.
What is the InChIKey of 2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is NVPNTXIDNOVCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-2-17-20-16(13-24-17)12-21-7-9-22(10-8-21)18(23)11-14-3-5-15(19)6-4-14/h3-6,13H,2,7-12,19H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
2-(4-aminophenyl)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 344.48 g/mol, XLogP of 2.17, 5 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-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119864315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).