1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine

C11H20N4S — CID 103976799

IUPAC1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
SMILESCCCc1nsc(N2CCC(C(C)N)C2)n1
InChIInChI=1S/C11H20N4S/c1-3-4-10-13-11(16-14-10)15-6-5-9(7-15)8(2)12/h8-9H,3-7,12H2,1-2H3
InChIKeyBOPPWDGAKUZIAJ-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.66
Rot. Bonds4

About 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine

1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 103976799) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
PubChem CID103976799
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine
SMILESCCCc1nsc(N2CCC(C(C)N)C2)n1
InChIInChI=1S/C11H20N4S/c1-3-4-10-13-11(16-14-10)15-6-5-9(7-15)8(2)12/h8-9H,3-7,12H2,1-2H3
InChIKeyBOPPWDGAKUZIAJ-UHFFFAOYSA-N
XLogP1.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine (CID 103976799) is 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine is CCCc1nsc(N2CCC(C(C)N)C2)n1.
What is the InChIKey of 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is BOPPWDGAKUZIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-4-10-13-11(16-14-10)15-6-5-9(7-15)8(2)12/h8-9H,3-7,12H2,1-2H3.
What are the key properties of 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine has a molecular weight of 240.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 103976799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).