N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine

C6H9F2N3S — CID 130831786

IUPACN-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(CC(F)F)Nc1ncns1
InChIInChI=1S/C6H9F2N3S/c1-4(2-5(7)8)11-6-9-3-10-12-6/h3-5H,2H2,1H3,(H,9,10,11)
InChIKeyDOIORFAWKWQGJC-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.99
Rot. Bonds4

About N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine

N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 130831786) has the molecular formula C6H9F2N3S and a molecular weight of 193.22 g/mol. Its IUPAC name is N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID130831786
Molecular FormulaC6H9F2N3S
Molecular Weight193.22 g/mol
Exact Mass193.05
IUPAC NameN-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCC(CC(F)F)Nc1ncns1
InChIInChI=1S/C6H9F2N3S/c1-4(2-5(7)8)11-6-9-3-10-12-6/h3-5H,2H2,1H3,(H,9,10,11)
InChIKeyDOIORFAWKWQGJC-UHFFFAOYSA-N
XLogP1.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271024
N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280544
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854570
5-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 105939502
N-[1-(trifluoromethyl)cyclopropyl]-1,2,4-thiadiazol-5-amine
CID 106214891
N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106294323
N-butan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304643
2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 114384378
N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 115407615
N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 115520544
N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
CID 115520652

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine (CID 130831786) is N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine is CC(CC(F)F)Nc1ncns1.
What is the InChIKey of N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DOIORFAWKWQGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S/c1-4(2-5(7)8)11-6-9-3-10-12-6/h3-5H,2H2,1H3,(H,9,10,11).
What are the key properties of N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine?
N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 193.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 130831786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).