1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone

C17H21N3OS — CID 169452748

IUPAC1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cnc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3
InChIKeyCZSFWPWYLTWYHF-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.40
Rot. Bonds4

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

1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 169452748) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone
PubChem CID169452748
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cnc(Cc3ccccc3)s2)CC1
InChIInChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3
InChIKeyCZSFWPWYLTWYHF-UHFFFAOYSA-N
XLogP2.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(2-benzyl-1,3-thiazol-5-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

2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094675
2-[4-[(2-Methyl-1,3-thiazol-5-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16189930
(2-Phenylethynyl-thiazol-5-yl)-piperidin-1-yl-methanone
CID 51049976
N-(2-fluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192085
N-(3,4-difluorobenzyl)-3-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl}propanamide
CID 16192186
3-[Benzyl(propan-2-yl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one
CID 46232206
N-methyl-N,5-bis(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 118716532
N-[3-(azepan-1-yl)propyl]-5-phenyl-1,3-thiazole-2-carboxamide
CID 164623440
1-Benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine
CID 1479744
2-{1-(4-Methylbenzyl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-piperazinyl}ethanol
CID 16187369
2-{1-Benzyl-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-2-yl}ethanol
CID 16188931
N-methyl-6-oxo-1-(3-phenylpropyl)-N-(1,3-thiazol-2-ylmethyl)-3-piperidinecarboxamide
CID 24790243

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone (CID 169452748) is 1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cnc(Cc3ccccc3)s2)CC1.
What is the InChIKey of 1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is CZSFWPWYLTWYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-14(21)20-9-7-19(8-10-20)13-16-12-18-17(22-16)11-15-5-3-2-4-6-15/h2-6,12H,7-11,13H2,1H3.
What are the key properties of 1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 315.44 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 169452748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).