3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine

C10H14FN3OS — CID 126857109

IUPAC3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESFC1OCCCC1Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H14FN3OS/c11-8-7(2-1-5-15-8)12-10-13-9(14-16-10)6-3-4-6/h6-8H,1-5H2,(H,12,13,14)
InChIKeyQPUVZNISWCPRKY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.30
Rot. Bonds3

About 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 126857109) has the molecular formula C10H14FN3OS and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID126857109
Molecular FormulaC10H14FN3OS
Molecular Weight243.31 g/mol
Exact Mass243.08
IUPAC Name3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESFC1OCCCC1Nc1nc(C2CC2)ns1
InChIInChI=1S/C10H14FN3OS/c11-8-7(2-1-5-15-8)12-10-13-9(14-16-10)6-3-4-6/h6-8H,1-5H2,(H,12,13,14)
InChIKeyQPUVZNISWCPRKY-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine (CID 126857109) is 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine is FC1OCCCC1Nc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QPUVZNISWCPRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3OS/c11-8-7(2-1-5-15-8)12-10-13-9(14-16-10)6-3-4-6/h6-8H,1-5H2,(H,12,13,14).
What are the key properties of 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2-fluorooxan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126857109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).