4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole

C7H8N4S2 — CID 20717873

IUPAC4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole
SMILESCc1nnsc1Cc1snnc1C
InChIInChI=1S/C7H8N4S2/c1-4-6(12-10-8-4)3-7-5(2)9-11-13-7/h3H2,1-2H3
InChIKeyQOVJSJYCUCLBGH-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.60
Rot. Bonds2

About 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole

4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole (PubChem CID 20717873) has the molecular formula C7H8N4S2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole.

Molecular Properties

Compound Name4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole
PubChem CID20717873
Molecular FormulaC7H8N4S2
Molecular Weight212.30 g/mol
Exact Mass212.02
IUPAC Name4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole
SMILESCc1nnsc1Cc1snnc1C
InChIInChI=1S/C7H8N4S2/c1-4-6(12-10-8-4)3-7-5(2)9-11-13-7/h3H2,1-2H3
InChIKeyQOVJSJYCUCLBGH-UHFFFAOYSA-N
XLogP1.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methyl-5-propylthiadiazole
CID 12913685
4-Methyl-5-pentyl-1,2,3-thiadiazole
CID 13427196
5-Butyl-4-methylthiadiazole
CID 23383489
4,5-Dipentylthiadiazole
CID 70024521
5-Methyl-4-propylthiadiazole
CID 119097950
4,5-Dibutylthiadiazole
CID 141338087
5-Ethyl-4-hexylthiadiazole
CID 153755144
CID 162027355
CID 162027355
4-Propyl-5-[4-(4-propylthiadiazol-5-yl)pentan-2-yl]thiadiazole
CID 4293234
5-Ethyl-4-propylthiadiazole
CID 5197928

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole?
The IUPAC name of 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole (CID 20717873) is 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole.
What is the SMILES notation for 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole?
The canonical SMILES for 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole is Cc1nnsc1Cc1snnc1C.
What is the InChIKey of 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole?
The InChIKey is QOVJSJYCUCLBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S2/c1-4-6(12-10-8-4)3-7-5(2)9-11-13-7/h3H2,1-2H3.
What are the key properties of 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole?
4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole has a molecular weight of 212.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(4-methylthiadiazol-5-yl)methyl]thiadiazole is sourced from PubChem (CID 20717873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).