(E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide

C19H15N3O2S2 — CID 1315189

IUPAC(E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)c2ccccc2)s1
InChIInChI=1S/C19H15N3O2S2/c23-16(15-9-5-2-6-10-15)13-25-19-22-21-18(26-19)20-17(24)12-11-14-7-3-1-4-8-14/h1-12H,13H2,(H,20,21,24)/b12-11+
InChIKeyDUQDLWRGJCDSLR-VAWYXSNFSA-N
MW381.48 g/mol
LogP4.16
Rot. Bonds7

About (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide

(E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide (PubChem CID 1315189) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
PubChem CID1315189
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name(E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)c2ccccc2)s1
InChIInChI=1S/C19H15N3O2S2/c23-16(15-9-5-2-6-10-15)13-25-19-22-21-18(26-19)20-17(24)12-11-14-7-3-1-4-8-14/h1-12H,13H2,(H,20,21,24)/b12-11+
InChIKeyDUQDLWRGJCDSLR-VAWYXSNFSA-N
XLogP4.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide 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

Bcr-abl Inhibitor II
CID 3320547
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 685639
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 739607
N-(5-{[2-(2-naphthyl)-2-oxoethyl]thio}-1,3,4-thiadiazol-2-yl)-3-phenylacrylamide
CID 2294457
4-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylbutan-1-one
CID 2441871
N-(5-{[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
CID 3157351
N-(5-(3-fluorobenzylthio)-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 4573026
N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylpropanamide
CID 1871088
N-{5-[(2-oxopropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylpropanamide
CID 892951
N-(5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
CID 975509
N-(5-((2-(9H-fluoren-2-yl)-2-oxoethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
CID 1318935
2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-1-biphenyl-4-yl-ethanone
CID 602369

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide (CID 1315189) is (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)c2ccccc2)s1.
What is the InChIKey of (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide?
The InChIKey is DUQDLWRGJCDSLR-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-16(15-9-5-2-6-10-15)13-25-19-22-21-18(26-19)20-17(24)12-11-14-7-3-1-4-8-14/h1-12H,13H2,(H,20,21,24)/b12-11+.
What are the key properties of (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide?
(E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide has a molecular weight of 381.48 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 1315189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).