6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one

C23H24N2OS — CID 7552686

IUPAC6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one
SMILESCc1ccc2scc(N3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C23H24N2OS/c1-18-9-10-22-20(16-18)23(26)21(17-27-22)25-14-12-24(13-15-25)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15H2,1H3/b8-5+
InChIKeyAZKWOKVOMVQLOB-VMPITWQZSA-N
MW376.53 g/mol
LogP4.41
Rot. Bonds4

About 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one

6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one (PubChem CID 7552686) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one.

Molecular Properties

Compound Name6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one
PubChem CID7552686
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one
SMILESCc1ccc2scc(N3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2c1
InChIInChI=1S/C23H24N2OS/c1-18-9-10-22-20(16-18)23(26)21(17-27-22)25-14-12-24(13-15-25)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15H2,1H3/b8-5+
InChIKeyAZKWOKVOMVQLOB-VMPITWQZSA-N
XLogP4.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-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

3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]thiochromen-4-one
CID 7552640
ethyl 4-(6-methyl-4-oxothiochromen-3-yl)piperazine-1-carboxylate
CID 7216443
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;oxalic acid
CID 163327108
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
(6-methyl-2-phenylquinolin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 42749683
(3,5-dimethylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4649458
3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 3132194
(1R,6R)-3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 91168088
7-methyl-4-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole
CID 4594023
6-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 133407339

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one?
The IUPAC name of 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one (CID 7552686) is 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one.
What is the SMILES notation for 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one?
The canonical SMILES for 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one is Cc1ccc2scc(N3CCN(C/C=C/c4ccccc4)CC3)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one?
The InChIKey is AZKWOKVOMVQLOB-VMPITWQZSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-18-9-10-22-20(16-18)23(26)21(17-27-22)25-14-12-24(13-15-25)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15H2,1H3/b8-5+.
What are the key properties of 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one?
6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one has a molecular weight of 376.53 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]thiochromen-4-one is sourced from PubChem (CID 7552686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).