5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine

C6H10F2N4S — CID 130688378

IUPAC5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC(F)(F)CCNc1nc(N)ns1
InChIInChI=1S/C6H10F2N4S/c1-6(7,8)2-3-10-5-11-4(9)12-13-5/h2-3H2,1H3,(H3,9,10,11,12)
InChIKeyXKPNIZDTIKTMLA-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.58
Rot. Bonds4

About 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 130688378) has the molecular formula C6H10F2N4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID130688378
Molecular FormulaC6H10F2N4S
Molecular Weight208.24 g/mol
Exact Mass208.06
IUPAC Name5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC(F)(F)CCNc1nc(N)ns1
InChIInChI=1S/C6H10F2N4S/c1-6(7,8)2-3-10-5-11-4(9)12-13-5/h2-3H2,1H3,(H3,9,10,11,12)
InChIKeyXKPNIZDTIKTMLA-UHFFFAOYSA-N
XLogP1.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine (CID 130688378) is 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine is CC(F)(F)CCNc1nc(N)ns1.
What is the InChIKey of 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is XKPNIZDTIKTMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4S/c1-6(7,8)2-3-10-5-11-4(9)12-13-5/h2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 208.24 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3-difluorobutyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 130688378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).