4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine

C18H24N6S — CID 22349713

IUPAC4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CN2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C18H24N6S/c1-25-18-21-16(20-17(19)22-18)14-24-12-10-23(11-13-24)9-5-8-15-6-3-2-4-7-15/h2-8H,9-14H2,1H3,(H2,19,20,21,22)/b8-5+
InChIKeyMWDBTENNCHJROE-VMPITWQZSA-N
MW356.50 g/mol
LogP2.01
Rot. Bonds6

About 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine

4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine (PubChem CID 22349713) has the molecular formula C18H24N6S and a molecular weight of 356.50 g/mol. Its IUPAC name is 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
PubChem CID22349713
Molecular FormulaC18H24N6S
Molecular Weight356.50 g/mol
Exact Mass356.18
IUPAC Name4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(CN2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C18H24N6S/c1-25-18-21-16(20-17(19)22-18)14-24-12-10-23(11-13-24)9-5-8-15-6-3-2-4-7-15/h2-8H,9-14H2,1H3,(H2,19,20,21,22)/b8-5+
InChIKeyMWDBTENNCHJROE-VMPITWQZSA-N
XLogP2.01
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine 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-methylsulfanyl-6-[[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]pyridine-3-carbonitrile
CID 74227141
1-[(2-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377377
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1377016
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
(5-fluoro-6-methyl-2-pyridinyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 146074977
1-[(3-bromo-4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1069664
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
methyl (2S)-3-methyl-2-[[2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]quinazolin-4-yl]amino]butanoate
CID 90978264

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine (CID 22349713) is 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine is CSc1nc(N)nc(CN2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is MWDBTENNCHJROE-VMPITWQZSA-N. The full InChI is InChI=1S/C18H24N6S/c1-25-18-21-16(20-17(19)22-18)14-24-12-10-23(11-13-24)9-5-8-15-6-3-2-4-7-15/h2-8H,9-14H2,1H3,(H2,19,20,21,22)/b8-5+.
What are the key properties of 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 356.50 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 22349713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).