N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine

C15H26N4S — CID 64543578

IUPACN-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C15H26N4S/c1-3-16-12(2)14-11-20-15(17-14)19-9-6-13(10-19)18-7-4-5-8-18/h11-13,16H,3-10H2,1-2H3
InChIKeyQANBEEQODNREPV-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine

N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64543578) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64543578
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(N2CCC(N3CCCC3)C2)n1
InChIInChI=1S/C15H26N4S/c1-3-16-12(2)14-11-20-15(17-14)19-9-6-13(10-19)18-7-4-5-8-18/h11-13,16H,3-10H2,1-2H3
InChIKeyQANBEEQODNREPV-UHFFFAOYSA-N
XLogP2.49
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine (CID 64543578) is N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine is CCNC(C)c1csc(N2CCC(N3CCCC3)C2)n1.
What is the InChIKey of N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is QANBEEQODNREPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-3-16-12(2)14-11-20-15(17-14)19-9-6-13(10-19)18-7-4-5-8-18/h11-13,16H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine?
N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 294.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64543578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).