4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole

C10H13FN2S — CID 163644819

IUPAC4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole
SMILESCCC1CCC(F)=CC1c1csnn1
InChIInChI=1S/C10H13FN2S/c1-2-7-3-4-8(11)5-9(7)10-6-14-13-12-10/h5-7,9H,2-4H2,1H3
InChIKeyIHIURPNEYVENDF-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.30
Rot. Bonds2

About 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole

4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole (PubChem CID 163644819) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole.

Molecular Properties

Compound Name4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole
PubChem CID163644819
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole
SMILESCCC1CCC(F)=CC1c1csnn1
InChIInChI=1S/C10H13FN2S/c1-2-7-3-4-8(11)5-9(7)10-6-14-13-12-10/h5-7,9H,2-4H2,1H3
InChIKeyIHIURPNEYVENDF-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole?
The IUPAC name of 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole (CID 163644819) is 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole.
What is the SMILES notation for 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole?
The canonical SMILES for 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole is CCC1CCC(F)=CC1c1csnn1.
What is the InChIKey of 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole?
The InChIKey is IHIURPNEYVENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c1-2-7-3-4-8(11)5-9(7)10-6-14-13-12-10/h5-7,9H,2-4H2,1H3.
What are the key properties of 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole?
4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole has a molecular weight of 212.29 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-3-fluorocyclohex-2-en-1-yl)thiadiazole is sourced from PubChem (CID 163644819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).