(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one

C18H17N3OS3 — CID 71811050

IUPAC(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C18H17N3OS3/c22-17(4-3-15-2-1-10-24-15)20-6-8-21(9-7-20)18-19-16(13-25-18)14-5-11-23-12-14/h1-5,10-13H,6-9H2/b4-3+
InChIKeyFRRKWNXDPHIOJL-ONEGZZNKSA-N
MW387.56 g/mol
LogP4.30
Rot. Bonds4

About (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one

(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 71811050) has the molecular formula C18H17N3OS3 and a molecular weight of 387.56 g/mol. Its IUPAC name is (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
PubChem CID71811050
Molecular FormulaC18H17N3OS3
Molecular Weight387.56 g/mol
Exact Mass387.05
IUPAC Name(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one
SMILESO=C(/C=C/c1cccs1)N1CCN(c2nc(-c3ccsc3)cs2)CC1
InChIInChI=1S/C18H17N3OS3/c22-17(4-3-15-2-1-10-24-15)20-6-8-21(9-7-20)18-19-16(13-25-18)14-5-11-23-12-14/h1-5,10-13H,6-9H2/b4-3+
InChIKeyFRRKWNXDPHIOJL-ONEGZZNKSA-N
XLogP4.30
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.56
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

3-thiophen-2-yl-1-[4-(3-thiophen-2-ylprop-2-enoyl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 1000917
1-[4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 90601680
(2,5-dimethylfuran-3-yl)-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 71811046
methyl 4-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazine-1-carbonyl]benzoate
CID 71811056
2-pyridin-3-yloxy-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 90601687
(E)-1-[4-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 7292665
(E)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122335201
2-(1-methylindol-3-yl)-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 90601675
1-(4-cyclopropylidenepiperidin-1-yl)-3-thiophen-2-ylprop-2-en-1-one
CID 171137202
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4-thiophen-3-yl-1,3-thiazole
CID 71811083
[3-(tetrazol-1-yl)phenyl]-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 90601690
(Z)-3-thiophen-2-yl-1-[3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 90642516

Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one (CID 71811050) is (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one is O=C(/C=C/c1cccs1)N1CCN(c2nc(-c3ccsc3)cs2)CC1.
What is the InChIKey of (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is FRRKWNXDPHIOJL-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H17N3OS3/c22-17(4-3-15-2-1-10-24-15)20-6-8-21(9-7-20)18-19-16(13-25-18)14-5-11-23-12-14/h1-5,10-13H,6-9H2/b4-3+.
What are the key properties of (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one?
(E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 387.56 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-yl-1-[4-(4-thiophen-3-yl-1,3-thiazol-2-yl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 71811050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).