[5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone

C20H19N3OS — CID 142663103

IUPAC[5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone
SMILESCC=C(C)/N=c1\sc(C(=O)c2ccccc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C20H19N3OS/c1-4-15(3)21-20-23(17-12-10-14(2)11-13-17)22-19(25-20)18(24)16-8-6-5-7-9-16/h4-13H,1-3H3/b15-4?,21-20-
InChIKeyILVYBZXPJQNTNO-LWXREGDASA-N
MW349.46 g/mol
LogP4.30
Rot. Bonds4

About [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone

[5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone (PubChem CID 142663103) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone
PubChem CID142663103
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name[5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone
SMILESCC=C(C)/N=c1\sc(C(=O)c2ccccc2)nn1-c1ccc(C)cc1
InChIInChI=1S/C20H19N3OS/c1-4-15(3)21-20-23(17-12-10-14(2)11-13-17)22-19(25-20)18(24)16-8-6-5-7-9-16/h4-13H,1-3H3/b15-4?,21-20-
InChIKeyILVYBZXPJQNTNO-LWXREGDASA-N
XLogP4.30
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone 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

N-[5-acetyl-3-(4-hydroxyphenyl)-1,3,4-thiadiazol-2-ylidene]benzamide
CID 4549044
[(5E)-5-[(E)-1-naphthalen-1-ylethylidenehydrazinylidene]-4-phenyl-1,3,4-thiadiazol-2-yl]-phenylmethanone
CID 177444513
ethyl (5Z)-5-(benzoylhydrazinylidene)-4-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxylate
CID 177437468
naphthalen-2-yl-[(5E)-4-phenyl-5-[(E)-1-phenylethylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]methanone
CID 177475365
1-[(5E)-4-(4-fluorophenyl)-5-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-1,3,4-thiadiazol-2-yl]ethanone
CID 6524953
[5-benzoyl-3-(3-bromophenyl)-1,3,4-thiadiazol-2-ylidene]cyanamide
CID 26598836
naphthalen-2-yl-[(5E)-4-phenyl-5-(phenylhydrazinylidene)-1,3,4-thiadiazol-2-yl]methanone
CID 100932782
1-[4-(4-methylphenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]ethanone
CID 11482099
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
N,4-diphenyl-5-phenylimino-1,3,4-thiadiazole-2-carboxamide
CID 15832223
N-[5-[(E)-3-(dimethylamino)prop-2-enoyl]-3-(4-methyl-3-methylsulfanyl-1-phenylpyrazol-5-yl)-1,3,4-thiadiazol-2-ylidene]benzamide
CID 135393926
[5-(benzylideneamino)-3-(4-methylphenyl)imidazol-4-yl]-phenylmethanone
CID 159075066

Frequently Asked Questions

What is the IUPAC name of [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone?
The IUPAC name of [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone (CID 142663103) is [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone is CC=C(C)/N=c1\sc(C(=O)c2ccccc2)nn1-c1ccc(C)cc1.
What is the InChIKey of [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone?
The InChIKey is ILVYBZXPJQNTNO-LWXREGDASA-N. The full InChI is InChI=1S/C20H19N3OS/c1-4-15(3)21-20-23(17-12-10-14(2)11-13-17)22-19(25-20)18(24)16-8-6-5-7-9-16/h4-13H,1-3H3/b15-4?,21-20-.
What are the key properties of [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone?
[5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone has a molecular weight of 349.46 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-but-2-en-2-ylimino-4-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-phenylmethanone is sourced from PubChem (CID 142663103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).