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

C7H9F2N3S — CID 79838766

IUPAC3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)CNc1nc(C2CC2)ns1
InChIInChI=1S/C7H9F2N3S/c8-5(9)3-10-7-11-6(12-13-7)4-1-2-4/h4-5H,1-3H2,(H,10,11,12)
InChIKeyZFCQCENKPZYLPI-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.09
Rot. Bonds4

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

3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 79838766) has the molecular formula C7H9F2N3S and a molecular weight of 205.23 g/mol. Its IUPAC name is 3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID79838766
Molecular FormulaC7H9F2N3S
Molecular Weight205.23 g/mol
Exact Mass205.05
IUPAC Name3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)CNc1nc(C2CC2)ns1
InChIInChI=1S/C7H9F2N3S/c8-5(9)3-10-7-11-6(12-13-7)4-1-2-4/h4-5H,1-3H2,(H,10,11,12)
InChIKeyZFCQCENKPZYLPI-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine (CID 79838766) is 3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine is FC(F)CNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZFCQCENKPZYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3S/c8-5(9)3-10-7-11-6(12-13-7)4-1-2-4/h4-5H,1-3H2,(H,10,11,12).
What are the key properties of 3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 205.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79838766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).