N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine

C8H12FN3OS — CID 126857881

IUPACN-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)C2COCC2F)n1
InChIInChI=1S/C8H12FN3OS/c1-5-10-8(14-11-5)12(2)7-4-13-3-6(7)9/h6-7H,3-4H2,1-2H3
InChIKeyCMWINQVNPGWUFL-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.02
Rot. Bonds2

About N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine

N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine (PubChem CID 126857881) has the molecular formula C8H12FN3OS and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
PubChem CID126857881
Molecular FormulaC8H12FN3OS
Molecular Weight217.27 g/mol
Exact Mass217.07
IUPAC NameN-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(N(C)C2COCC2F)n1
InChIInChI=1S/C8H12FN3OS/c1-5-10-8(14-11-5)12(2)7-4-13-3-6(7)9/h6-7H,3-4H2,1-2H3
InChIKeyCMWINQVNPGWUFL-UHFFFAOYSA-N
XLogP1.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine (CID 126857881) is N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine is Cc1nsc(N(C)C2COCC2F)n1.
What is the InChIKey of N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is CMWINQVNPGWUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3OS/c1-5-10-8(14-11-5)12(2)7-4-13-3-6(7)9/h6-7H,3-4H2,1-2H3.
What are the key properties of N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine?
N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 217.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorooxolan-3-yl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126857881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).