[5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine

C8H11F2N3S — CID 130978888

IUPAC[5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(C2CCCC2(F)F)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)3-1-2-5(8)7-13-12-6(4-11)14-7/h5H,1-4,11H2
InChIKeyYYXAVWIUQBQMHK-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.90
Rot. Bonds2

About [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 130978888) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID130978888
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name[5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(C2CCCC2(F)F)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)3-1-2-5(8)7-13-12-6(4-11)14-7/h5H,1-4,11H2
InChIKeyYYXAVWIUQBQMHK-UHFFFAOYSA-N
XLogP1.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine (CID 130978888) is [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine is NCc1nnc(C2CCCC2(F)F)s1.
What is the InChIKey of [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is YYXAVWIUQBQMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-8(10)3-1-2-5(8)7-13-12-6(4-11)14-7/h5H,1-4,11H2.
What are the key properties of [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 219.26 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-difluorocyclopentyl)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 130978888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).