2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine

C5H7F2N3S — CID 115405649

IUPAC2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESFC(F)CNCc1csnn1
InChIInChI=1S/C5H7F2N3S/c6-5(7)2-8-1-4-3-11-10-9-4/h3,5,8H,1-2H2
InChIKeyGUMMWQJFAXMLMH-UHFFFAOYSA-N
MW179.20 g/mol
LogP0.89
Rot. Bonds4

About 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine

2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 115405649) has the molecular formula C5H7F2N3S and a molecular weight of 179.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID115405649
Molecular FormulaC5H7F2N3S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESFC(F)CNCc1csnn1
InChIInChI=1S/C5H7F2N3S/c6-5(7)2-8-1-4-3-11-10-9-4/h3,5,8H,1-2H2
InChIKeyGUMMWQJFAXMLMH-UHFFFAOYSA-N
XLogP0.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907114
4,4-dimethyl-1-(thiadiazol-4-ylmethylamino)pentan-2-ol
CID 115907348
1-cyclopentyl-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907469
N-(thiadiazol-4-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 115907644
1-(2-methylpropoxy)-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904997
N-(thiadiazol-4-ylmethyl)but-2-yn-1-amine
CID 115908801
1-(5-methylfuran-2-yl)-2-(thiadiazol-4-ylmethylamino)ethanol
CID 115907720
3-(thiadiazol-4-ylmethylamino)propanenitrile
CID 43664080
1-piperidin-1-yl-2-(thiadiazol-4-ylmethylamino)ethanone
CID 115587343
4-(difluoromethylsulfonyl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43683901
3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63983801
4,4-dimethyl-N-(thiadiazol-4-ylmethyl)pent-2-yn-1-amine
CID 130899017

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine (CID 115405649) is 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine is FC(F)CNCc1csnn1.
What is the InChIKey of 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is GUMMWQJFAXMLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3S/c6-5(7)2-8-1-4-3-11-10-9-4/h3,5,8H,1-2H2.
What are the key properties of 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine?
2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 179.20 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 115405649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).