2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone

C11H11N3OS — CID 2487687

IUPAC2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone
SMILES[H]/N=c1\scnn1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)10(15)6-14-11(12)16-7-13-14/h2-5,7,12H,6H2,1H3/b12-11-
InChIKeyQUTAZARUFNIFCK-QXMHVHEDSA-N
MW233.30 g/mol
LogP1.62
Rot. Bonds3

About 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone

2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone (PubChem CID 2487687) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone
PubChem CID2487687
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone
SMILES[H]/N=c1\scnn1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)10(15)6-14-11(12)16-7-13-14/h2-5,7,12H,6H2,1H3/b12-11-
InChIKeyQUTAZARUFNIFCK-QXMHVHEDSA-N
XLogP1.62
TPSA58.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)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

CID 15944810
CID 15944810
1-(4-Ethylphenyl)-2-(2-imino-1,3-thiazol-3-yl)ethanone;hydrobromide
CID 16236318
2-(2-Iminothiazolidin-3-yl)-1-phenylethan-1-one
CID 81157
2-(5-Ethylsulfanyl-2-imino-1,3,4-thiadiazol-3-yl)-1-(4-fluorophenyl)ethanone
CID 2416630
2-(2-Imino-1,3-thiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide
CID 6610663
1-Phenyl-2-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-ylamino)-ethanone
CID 73350946
2-(2-Iminothiazolidin-3-yl)-1-phenylethan-1-one monohydrobromide
CID 2770204
1-(4-ethylphenyl)-2-[2-imino-1,3-thiazol-3(2H)-yl]-1-ethanone
CID 767111
1-(4-Ethylphenyl)-2-(2-imino-1,3-thiazolan-3-YL)-1-ethanone
CID 2327140
N-[2-(2,4-difluorophenyl)-2-oxoethyl]-N-(methylideneamino)methanimidamide
CID 141913491
N-[(Z)-ethylideneamino]-N-[2-(4-fluorophenyl)-2-oxoethyl]methanimidamide
CID 172985565
5-Bromo-2-imino-3-phenacyl-2,3-dihydro-1,3,4-thiadiazole
CID 129795391

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone (CID 2487687) is 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone is [H]/N=c1\scnn1CC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is QUTAZARUFNIFCK-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)10(15)6-14-11(12)16-7-13-14/h2-5,7,12H,6H2,1H3/b12-11-.
What are the key properties of 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone?
2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 233.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3,4-thiadiazol-3-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 2487687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).