5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole

C10H16N2OS — CID 130467187

IUPAC5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole
SMILESCCOc1nc([C@@H]2[C@@H](C)C2(C)C)ns1
InChIInChI=1S/C10H16N2OS/c1-5-13-9-11-8(12-14-9)7-6(2)10(7,3)4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyPQLDFMZYAXXZJX-RQJHMYQMSA-N
MW212.32 g/mol
LogP2.70
Rot. Bonds3

About 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole

5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole (PubChem CID 130467187) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole
PubChem CID130467187
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole
SMILESCCOc1nc([C@@H]2[C@@H](C)C2(C)C)ns1
InChIInChI=1S/C10H16N2OS/c1-5-13-9-11-8(12-14-9)7-6(2)10(7,3)4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1
InChIKeyPQLDFMZYAXXZJX-RQJHMYQMSA-N
XLogP2.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole?
The IUPAC name of 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole (CID 130467187) is 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole?
The canonical SMILES for 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole is CCOc1nc([C@@H]2[C@@H](C)C2(C)C)ns1.
What is the InChIKey of 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole?
The InChIKey is PQLDFMZYAXXZJX-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-5-13-9-11-8(12-14-9)7-6(2)10(7,3)4/h6-7H,5H2,1-4H3/t6-,7+/m1/s1.
What are the key properties of 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole?
5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole has a molecular weight of 212.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[(1R,3R)-2,2,3-trimethylcyclopropyl]-1,2,4-thiadiazole is sourced from PubChem (CID 130467187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).