5-cyclopropyl-4-methylthiadiazole

C6H8N2S — CID 90839146

IUPAC5-cyclopropyl-4-methylthiadiazole
SMILESCc1nnsc1C1CC1
InChIInChI=1S/C6H8N2S/c1-4-6(5-2-3-5)9-8-7-4/h5H,2-3H2,1H3
InChIKeyIVBBFJZDWXHXOY-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.72
Rot. Bonds1

About 5-cyclopropyl-4-methylthiadiazole

5-cyclopropyl-4-methylthiadiazole (PubChem CID 90839146) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 5-cyclopropyl-4-methylthiadiazole.

Molecular Properties

Compound Name5-cyclopropyl-4-methylthiadiazole
PubChem CID90839146
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name5-cyclopropyl-4-methylthiadiazole
SMILESCc1nnsc1C1CC1
InChIInChI=1S/C6H8N2S/c1-4-6(5-2-3-5)9-8-7-4/h5H,2-3H2,1H3
InChIKeyIVBBFJZDWXHXOY-UHFFFAOYSA-N
XLogP1.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Tert-butyl-5-propan-2-ylthiadiazole
CID 12552710
4-Cyclopropyl-5-(fluoromethyl)thiadiazole
CID 141237817
5-Cyclopropyl-4-(fluoromethyl)thiadiazole
CID 141237847
4-Methyl-5-propylthiadiazole
CID 12913685
5-(2-Chloro-2-methylpropyl)-4-methylthiadiazole
CID 134909748
4,5,6,7,8,9,10,11,12,13-Decahydrocyclododeca[d]thiadiazole
CID 12565898
4-Methyl-5-pentyl-1,2,3-thiadiazole
CID 13427196
2-Methyl-1-(4-methylthiadiazol-5-yl)propan-2-amine
CID 23111159
5-Butyl-4-methylthiadiazole
CID 23383489
5-Tert-butyl-4-methylthiadiazole
CID 23529416
4-Methyl-5-propan-2-ylthiadiazole
CID 23588983
(6S)-6,7-dimethyl-2-thia-3,4-diazabicyclo[3.2.0]hepta-1(5),3-diene
CID 57697611

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-methylthiadiazole?
The IUPAC name of 5-cyclopropyl-4-methylthiadiazole (CID 90839146) is 5-cyclopropyl-4-methylthiadiazole.
What is the SMILES notation for 5-cyclopropyl-4-methylthiadiazole?
The canonical SMILES for 5-cyclopropyl-4-methylthiadiazole is Cc1nnsc1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-methylthiadiazole?
The InChIKey is IVBBFJZDWXHXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-4-6(5-2-3-5)9-8-7-4/h5H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-4-methylthiadiazole?
5-cyclopropyl-4-methylthiadiazole has a molecular weight of 140.21 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-methylthiadiazole is sourced from PubChem (CID 90839146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).