5-methoxy-3-propan-2-yl-1,2,4-thiadiazole

C6H10N2OS — CID 166552886

IUPAC5-methoxy-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOc1nc(C(C)C)ns1
InChIInChI=1S/C6H10N2OS/c1-4(2)5-7-6(9-3)10-8-5/h4H,1-3H3
InChIKeyOCEMGXHDSOQHDV-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.67
Rot. Bonds2

About 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole

5-methoxy-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 166552886) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-methoxy-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID166552886
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name5-methoxy-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOc1nc(C(C)C)ns1
InChIInChI=1S/C6H10N2OS/c1-4(2)5-7-6(9-3)10-8-5/h4H,1-3H3
InChIKeyOCEMGXHDSOQHDV-UHFFFAOYSA-N
XLogP1.67
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
5-Chloro-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 46318478
3-(2-Methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 61412549
3-Propan-2-yl-5-(trifluoromethoxy)-1,2,4-thiadiazole
CID 144946124
5-Chloro-3-(propan-2-yl)-1,2,4-thiadiazole
CID 12874683
3-Methyl-5-propan-2-yl-1,2,4-thiadiazole
CID 20605582
3,5-Di(propan-2-yl)-1,2,4-thiadiazole
CID 21054923
5-Methoxy-3-methyl-1,2,4-thiadiazole
CID 21349938
5-Bromo-3-isopropyl-1,2,4-thiadiazole
CID 53408113
5-Ethoxy-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 58970602
5-Methyl-3-propan-2-yl-1,2,4-thiadiazole
CID 59049207
3-Ethyl-5-propan-2-yl-1,2,4-thiadiazole
CID 59718750

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole (CID 166552886) is 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole is COc1nc(C(C)C)ns1.
What is the InChIKey of 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is OCEMGXHDSOQHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4(2)5-7-6(9-3)10-8-5/h4H,1-3H3.
What are the key properties of 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole?
5-methoxy-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 158.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 166552886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).