2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole

C6H8N2S2 — CID 139525081

IUPAC2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole
SMILESCSC1(c2nncs2)CC1
InChIInChI=1S/C6H8N2S2/c1-9-6(2-3-6)5-8-7-4-10-5/h4H,2-3H2,1H3
InChIKeyZWBYCHPJPZKBOW-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.89
Rot. Bonds2

About 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole

2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole (PubChem CID 139525081) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole
PubChem CID139525081
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole
SMILESCSC1(c2nncs2)CC1
InChIInChI=1S/C6H8N2S2/c1-9-6(2-3-6)5-8-7-4-10-5/h4H,2-3H2,1H3
InChIKeyZWBYCHPJPZKBOW-UHFFFAOYSA-N
XLogP1.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylsulfanylcyclopropyl)-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

Ethyl[1,3,4]thiadiazol
CID 19082030
2-(1-Fluorocyclopropyl)-1,3,4-thiadiazole
CID 153457648
2-Propyl-1,3,4-thiadiazole
CID 18967869
2-Butan-2-yl-1,3,4-thiadiazole
CID 20466570
2-Tert-butyl-1,3,4-thiadiazole
CID 20502975
2-Butyl-1,3,4-thiadiazole
CID 20551529
2-(2-Methylpropyl)-1,3,4-thiadiazole
CID 20977066
2-Propan-2-yl-1,3,4-thiadiazole
CID 23384811
2-Cyclopropyl-1,3,4-thiadiazole
CID 53713544
3-(1,3,4-Thiadiazol-2-yl)propane-1-thiol
CID 57159342
2-(1,3,4-Thiadiazol-2-yl)propane-2-thiol
CID 57198084
1-(1,3,4-Thiadiazol-2-yl)propane-2-thiol
CID 57221431

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole (CID 139525081) is 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole is CSC1(c2nncs2)CC1.
What is the InChIKey of 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole?
The InChIKey is ZWBYCHPJPZKBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-9-6(2-3-6)5-8-7-4-10-5/h4H,2-3H2,1H3.
What are the key properties of 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole?
2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole has a molecular weight of 172.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfanylcyclopropyl)-1,3,4-thiadiazole is sourced from PubChem (CID 139525081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).