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

C9H15ClN4S — CID 80609765

IUPAC1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C9H15ClN4S/c1-13(2)7-3-4-14(5-7)6-8-11-12-9(10)15-8/h7H,3-6H2,1-2H3
InChIKeyWVQAIGKWSUHFRF-UHFFFAOYSA-N
MW246.77 g/mol
LogP1.33
Rot. Bonds3

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

1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 80609765) has the molecular formula C9H15ClN4S and a molecular weight of 246.77 g/mol. Its IUPAC name is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID80609765
Molecular FormulaC9H15ClN4S
Molecular Weight246.77 g/mol
Exact Mass246.07
IUPAC Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C9H15ClN4S/c1-13(2)7-3-4-14(5-7)6-8-11-12-9(10)15-8/h7H,3-6H2,1-2H3
InChIKeyWVQAIGKWSUHFRF-UHFFFAOYSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.77
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine (CID 80609765) is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(Cc2nnc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is WVQAIGKWSUHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4S/c1-13(2)7-3-4-14(5-7)6-8-11-12-9(10)15-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 246.77 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 80609765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).