4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine

C13H24N4S — CID 83222159

IUPAC4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1C(C)CCC1CC
InChIInChI=1S/C13H24N4S/c1-4-8-14-13-12(15-16-18-13)9-17-10(3)6-7-11(17)5-2/h10-11,14H,4-9H2,1-3H3
InChIKeyLFAYIDNBGVNRAL-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.12
Rot. Bonds6

About 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine

4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine (PubChem CID 83222159) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine
PubChem CID83222159
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN1C(C)CCC1CC
InChIInChI=1S/C13H24N4S/c1-4-8-14-13-12(15-16-18-13)9-17-10(3)6-7-11(17)5-2/h10-11,14H,4-9H2,1-3H3
InChIKeyLFAYIDNBGVNRAL-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine (CID 83222159) is 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN1C(C)CCC1CC.
What is the InChIKey of 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
The InChIKey is LFAYIDNBGVNRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-8-14-13-12(15-16-18-13)9-17-10(3)6-7-11(17)5-2/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine?
4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine has a molecular weight of 268.43 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 83222159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).