2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone

C15H17N3OS — CID 39286705

IUPAC2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCNCC1
InChIInChI=1S/C15H17N3OS/c19-14(18-8-6-16-7-9-18)10-13-11-20-15(17-13)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
InChIKeyFSYONNOCDUEZNN-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.78
Rot. Bonds3

About 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone

2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone (PubChem CID 39286705) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
PubChem CID39286705
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCNCC1
InChIInChI=1S/C15H17N3OS/c19-14(18-8-6-16-7-9-18)10-13-11-20-15(17-13)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2
InChIKeyFSYONNOCDUEZNN-UHFFFAOYSA-N
XLogP1.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 39305192
1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 131934429
3-(dimethylamino)-1-[4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110617904
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone
CID 119402790
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 119403357
1-(4-benzylsulfonylpiperazin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 27757217
1-(1,4-diazepan-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 119417999
tert-butyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperazine-1-carboxylate
CID 31121816
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340
1-[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 155494152

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone (CID 39286705) is 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone is O=C(Cc1csc(-c2ccccc2)n1)N1CCNCC1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone?
The InChIKey is FSYONNOCDUEZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(18-8-6-16-7-9-18)10-13-11-20-15(17-13)12-4-2-1-3-5-12/h1-5,11,16H,6-10H2.
What are the key properties of 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone?
2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone has a molecular weight of 287.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-4-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 39286705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).