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

C8H14N4S — CID 80606183

IUPAC5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCN(Cc2nnc(N)s2)C1
InChIInChI=1S/C8H14N4S/c1-6-2-3-12(4-6)5-7-10-11-8(9)13-7/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyCURMGAXVTHGANG-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.96
Rot. Bonds2

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

5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80606183) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID80606183
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCN(Cc2nnc(N)s2)C1
InChIInChI=1S/C8H14N4S/c1-6-2-3-12(4-6)5-7-10-11-8(9)13-7/h6H,2-5H2,1H3,(H2,9,11)
InChIKeyCURMGAXVTHGANG-UHFFFAOYSA-N
XLogP0.96
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 80606183) is 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is CC1CCN(Cc2nnc(N)s2)C1.
What is the InChIKey of 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CURMGAXVTHGANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-6-2-3-12(4-6)5-7-10-11-8(9)13-7/h6H,2-5H2,1H3,(H2,9,11).
What are the key properties of 5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(3-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 198.29 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-methylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).