2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole

C7H10N2OS — CID 58853375

IUPAC2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole
SMILESCc1nnc(C2CCCO2)s1
InChIInChI=1S/C7H10N2OS/c1-5-8-9-7(11-5)6-3-2-4-10-6/h6H,2-4H2,1H3
InChIKeyMLOFFXFSTGEPQB-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.70
Rot. Bonds1

About 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole

2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole (PubChem CID 58853375) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole
PubChem CID58853375
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole
SMILESCc1nnc(C2CCCO2)s1
InChIInChI=1S/C7H10N2OS/c1-5-8-9-7(11-5)6-3-2-4-10-6/h6H,2-4H2,1H3
InChIKeyMLOFFXFSTGEPQB-UHFFFAOYSA-N
XLogP1.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole (CID 58853375) is 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole is Cc1nnc(C2CCCO2)s1.
What is the InChIKey of 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole?
The InChIKey is MLOFFXFSTGEPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-8-9-7(11-5)6-3-2-4-10-6/h6H,2-4H2,1H3.
What are the key properties of 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole?
2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole has a molecular weight of 170.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(oxolan-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 58853375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).