2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

C18H22N4OS2 — CID 17446651

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESCc1nnc(SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1
InChIInChI=1S/C18H22N4OS2/c1-15-19-20-18(25-15)24-14-17(23)22-12-10-21(11-13-22)9-5-8-16-6-3-2-4-7-16/h2-8H,9-14H2,1H3/b8-5+
InChIKeyAHJWTDIFHVWVGD-VMPITWQZSA-N
MW374.54 g/mol
LogP2.80
Rot. Bonds6

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (PubChem CID 17446651) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
PubChem CID17446651
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
SMILESCc1nnc(SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1
InChIInChI=1S/C18H22N4OS2/c1-15-19-20-18(25-15)24-14-17(23)22-12-10-21(11-13-22)9-5-8-16-6-3-2-4-7-16/h2-8H,9-14H2,1H3/b8-5+
InChIKeyAHJWTDIFHVWVGD-VMPITWQZSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone 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-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
ethyl (3S)-1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25446678
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 17476648
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 9204628
3-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 4116088
2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 27874426
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 606943
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone (CID 17446651) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is Cc1nnc(SCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
The InChIKey is AHJWTDIFHVWVGD-VMPITWQZSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-15-19-20-18(25-15)24-14-17(23)22-12-10-21(11-13-22)9-5-8-16-6-3-2-4-7-16/h2-8H,9-14H2,1H3/b8-5+.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone has a molecular weight of 374.54 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 17446651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).