2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole

C8H12N2OS2 — CID 131160028

IUPAC2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCOC1CC(Sc2nnc(C)s2)C1
InChIInChI=1S/C8H12N2OS2/c1-5-9-10-8(12-5)13-7-3-6(4-7)11-2/h6-7H,3-4H2,1-2H3
InChIKeyWVULGYSIHSOUDS-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.12
Rot. Bonds3

About 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole

2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole (PubChem CID 131160028) has the molecular formula C8H12N2OS2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole
PubChem CID131160028
Molecular FormulaC8H12N2OS2
Molecular Weight216.33 g/mol
Exact Mass216.04
IUPAC Name2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCOC1CC(Sc2nnc(C)s2)C1
InChIInChI=1S/C8H12N2OS2/c1-5-9-10-8(12-5)13-7-3-6(4-7)11-2/h6-7H,3-4H2,1-2H3
InChIKeyWVULGYSIHSOUDS-UHFFFAOYSA-N
XLogP2.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole (CID 131160028) is 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole is COC1CC(Sc2nnc(C)s2)C1.
What is the InChIKey of 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is WVULGYSIHSOUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS2/c1-5-9-10-8(12-5)13-7-3-6(4-7)11-2/h6-7H,3-4H2,1-2H3.
What are the key properties of 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole?
2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 216.33 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxycyclobutyl)sulfanyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 131160028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).