5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine

C5H7F2N3OS — CID 82006990

IUPAC5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCC(F)F)s1
InChIInChI=1S/C5H7F2N3OS/c6-3(7)1-11-2-4-9-10-5(8)12-4/h3H,1-2H2,(H2,8,10)
InChIKeyCFTCMJSWISKSSU-UHFFFAOYSA-N
MW195.19 g/mol
LogP0.90
Rot. Bonds4

About 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine

5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 82006990) has the molecular formula C5H7F2N3OS and a molecular weight of 195.19 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID82006990
Molecular FormulaC5H7F2N3OS
Molecular Weight195.19 g/mol
Exact Mass195.03
IUPAC Name5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(COCC(F)F)s1
InChIInChI=1S/C5H7F2N3OS/c6-3(7)1-11-2-4-9-10-5(8)12-4/h3H,1-2H2,(H2,8,10)
InChIKeyCFTCMJSWISKSSU-UHFFFAOYSA-N
XLogP0.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine (CID 82006990) is 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(COCC(F)F)s1.
What is the InChIKey of 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CFTCMJSWISKSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3OS/c6-3(7)1-11-2-4-9-10-5(8)12-4/h3H,1-2H2,(H2,8,10).
What are the key properties of 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine?
5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 195.19 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethoxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82006990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).