5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine

C7H10F2N4S — CID 126986635

IUPAC5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN2CCC(F)(F)C2)s1
InChIInChI=1S/C7H10F2N4S/c8-7(9)1-2-13(4-7)3-5-11-12-6(10)14-5/h1-4H2,(H2,10,12)
InChIKeyVADSXQCVEORCCF-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.96
Rot. Bonds2

About 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine

5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 126986635) has the molecular formula C7H10F2N4S and a molecular weight of 220.25 g/mol. Its IUPAC name is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID126986635
Molecular FormulaC7H10F2N4S
Molecular Weight220.25 g/mol
Exact Mass220.06
IUPAC Name5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN2CCC(F)(F)C2)s1
InChIInChI=1S/C7H10F2N4S/c8-7(9)1-2-13(4-7)3-5-11-12-6(10)14-5/h1-4H2,(H2,10,12)
InChIKeyVADSXQCVEORCCF-UHFFFAOYSA-N
XLogP0.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606683
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606999
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607003
5-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607216
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607633
5-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80608074
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 80613766
3,3,3-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylpropan-1-amine
CID 80614295
N-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586125
5-[[2,2-Difluoroethyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 116317428
5-(Pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 79002134
5-[(3-Methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 80606183

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 126986635) is 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CN2CCC(F)(F)C2)s1.
What is the InChIKey of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VADSXQCVEORCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4S/c8-7(9)1-2-13(4-7)3-5-11-12-6(10)14-5/h1-4H2,(H2,10,12).
What are the key properties of 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 220.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 126986635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).