2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

C7H5IN4S3 — CID 115383283

IUPAC2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2ncncc2I)s1
InChIInChI=1S/C7H5IN4S3/c1-13-6-11-12-7(15-6)14-5-4(8)2-9-3-10-5/h2-3H,1H3
InChIKeyWOEDQJWGUUMEAK-UHFFFAOYSA-N
MW368.25 g/mol
LogP2.81
Rot. Bonds3

About 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole

2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 115383283) has the molecular formula C7H5IN4S3 and a molecular weight of 368.25 g/mol. Its IUPAC name is 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID115383283
Molecular FormulaC7H5IN4S3
Molecular Weight368.25 g/mol
Exact Mass367.87
IUPAC Name2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(Sc2ncncc2I)s1
InChIInChI=1S/C7H5IN4S3/c1-13-6-11-12-7(15-6)14-5-4(8)2-9-3-10-5/h2-3H,1H3
InChIKeyWOEDQJWGUUMEAK-UHFFFAOYSA-N
XLogP2.81
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole 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

4-ethylsulfanyl-5-iodopyrimidine
CID 66318489
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383155
4-ethoxy-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-5-amine
CID 115382776
5-iodo-4-pyrazin-2-ylsulfanylpyrimidine
CID 66319398
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propylpyrimidin-4-amine
CID 115384439
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
4-(2,4-difluorophenyl)sulfanyl-5-iodopyrimidine
CID 66320757
N-ethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-amine
CID 115384440
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine
CID 66320758
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
CID 47150238
4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine
CID 66318492
2-(6-chloropyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115280336

Frequently Asked Questions

What is the IUPAC name of 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole (CID 115383283) is 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(Sc2ncncc2I)s1.
What is the InChIKey of 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is WOEDQJWGUUMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN4S3/c1-13-6-11-12-7(15-6)14-5-4(8)2-9-3-10-5/h2-3H,1H3.
What are the key properties of 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole?
2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 368.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-iodopyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 115383283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).