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

C10H18N4S — CID 80608063

IUPAC5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCCC2(C)C)s1
InChIInChI=1S/C10H18N4S/c1-10(2)5-4-6-14(10)7-8-12-13-9(11-3)15-8/h4-7H2,1-3H3,(H,11,13)
InChIKeyWOIAOHCLWYSIJO-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.95
Rot. Bonds3

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

5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80608063) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80608063
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CN2CCCC2(C)C)s1
InChIInChI=1S/C10H18N4S/c1-10(2)5-4-6-14(10)7-8-12-13-9(11-3)15-8/h4-7H2,1-3H3,(H,11,13)
InChIKeyWOIAOHCLWYSIJO-UHFFFAOYSA-N
XLogP1.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80608063) is 5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CN2CCCC2(C)C)s1.
What is the InChIKey of 5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WOIAOHCLWYSIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-10(2)5-4-6-14(10)7-8-12-13-9(11-3)15-8/h4-7H2,1-3H3,(H,11,13).
What are the key properties of 5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80608063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).