4,5-dimethylthiadiazole

C4H6N2S — CID 12913686

IUPAC4,5-dimethylthiadiazole
SMILESCc1nnsc1C
InChIInChI=1S/C4H6N2S/c1-3-4(2)7-6-5-3/h1-2H3
InChIKeyHSQGRXTXMXMKPQ-UHFFFAOYSA-N
MW114.17 g/mol
LogP1.15
Rot. Bonds

About 4,5-dimethylthiadiazole

4,5-dimethylthiadiazole (PubChem CID 12913686) has the molecular formula C4H6N2S and a molecular weight of 114.17 g/mol. Its IUPAC name is 4,5-dimethylthiadiazole.

Molecular Properties

Compound Name4,5-dimethylthiadiazole
PubChem CID12913686
Molecular FormulaC4H6N2S
Molecular Weight114.17 g/mol
Exact Mass114.03
IUPAC Name4,5-dimethylthiadiazole
SMILESCc1nnsc1C
InChIInChI=1S/C4H6N2S/c1-3-4(2)7-6-5-3/h1-2H3
InChIKeyHSQGRXTXMXMKPQ-UHFFFAOYSA-N
XLogP1.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Chloromethyl)-4-methyl-1,2,3-thiadiazole
CID 12913708
4-Methyl-1,2,3-thiadiazole-5-carbonitrile
CID 15906629
4-(Difluoromethyl)-5-methylthiadiazole
CID 68023077
5-(Fluoromethyl)-4-(trifluoromethyl)thiadiazole
CID 141237793
5-(Fluoromethyl)-4-methylthiadiazole
CID 141237810
4-(Fluoromethyl)-5-(trifluoromethyl)thiadiazole
CID 141237825
4-(Fluoromethyl)-5-methylthiadiazole
CID 141237826
4-Methyl-5-(trifluoromethyl)thiadiazole
CID 141295039
5-Methyl-4-(trifluoromethyl)thiadiazole
CID 141985975
4-(Chloromethyl)-5-methylthiadiazole
CID 20557629
4-(Bromomethyl)-5-methyl-1,2,3-thiadiazole
CID 12913687
5-(Bromomethyl)-4-methyl-1,2,3-thiadiazole
CID 12913692

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylthiadiazole?
The IUPAC name of 4,5-dimethylthiadiazole (CID 12913686) is 4,5-dimethylthiadiazole.
What is the SMILES notation for 4,5-dimethylthiadiazole?
The canonical SMILES for 4,5-dimethylthiadiazole is Cc1nnsc1C.
What is the InChIKey of 4,5-dimethylthiadiazole?
The InChIKey is HSQGRXTXMXMKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S/c1-3-4(2)7-6-5-3/h1-2H3.
What are the key properties of 4,5-dimethylthiadiazole?
4,5-dimethylthiadiazole has a molecular weight of 114.17 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylthiadiazole is sourced from PubChem (CID 12913686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).