(E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one

C15H16N4O3S2 — CID 49324210

IUPAC(E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cscn1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H16N4O3S2/c20-15(4-3-13-11-23-12-17-13)18-6-8-19(9-7-18)24(21,22)14-2-1-5-16-10-14/h1-5,10-12H,6-9H2/b4-3+
InChIKeyGNXCSFCDTFMFSJ-ONEGZZNKSA-N
MW364.45 g/mol
LogP1.08
Rot. Bonds4

About (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one

(E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one (PubChem CID 49324210) has the molecular formula C15H16N4O3S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one
PubChem CID49324210
Molecular FormulaC15H16N4O3S2
Molecular Weight364.45 g/mol
Exact Mass364.07
IUPAC Name(E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cscn1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H16N4O3S2/c20-15(4-3-13-11-23-12-17-13)18-6-8-19(9-7-18)24(21,22)14-2-1-5-16-10-14/h1-5,10-12H,6-9H2/b4-3+
InChIKeyGNXCSFCDTFMFSJ-ONEGZZNKSA-N
XLogP1.08
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one 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

(E)-1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 38078969
(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 39227234
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
(E)-1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
CID 16594162
1-(4-chlorophenyl)sulfonyl-4-pyridin-3-ylsulfonylpiperazine
CID 154834810
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
(E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(2-chlorophenyl)prop-2-en-1-one
CID 26202249
[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 27509869
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-quinolin-8-ylprop-2-en-1-one
CID 55510581
(E)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 26832002
3-[4-(bromomethyl)piperidin-1-yl]sulfonylpyridine
CID 80668698

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one (CID 49324210) is (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one is O=C(/C=C/c1cscn1)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one?
The InChIKey is GNXCSFCDTFMFSJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H16N4O3S2/c20-15(4-3-13-11-23-12-17-13)18-6-8-19(9-7-18)24(21,22)14-2-1-5-16-10-14/h1-5,10-12H,6-9H2/b4-3+.
What are the key properties of (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one?
(E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one has a molecular weight of 364.45 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-3-(1,3-thiazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 49324210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).