2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine

C14H20N4S — CID 3980958

IUPAC2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
SMILESc1cc(CNCCN2CCCC2)n(-c2nccs2)c1
InChIInChI=1S/C14H20N4S/c1-2-8-17(7-1)10-5-15-12-13-4-3-9-18(13)14-16-6-11-19-14/h3-4,6,9,11,15H,1-2,5,7-8,10,12H2
InChIKeyANUILJSLWXUMSX-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.12
Rot. Bonds6

About 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine

2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine (PubChem CID 3980958) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
PubChem CID3980958
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine
SMILESc1cc(CNCCN2CCCC2)n(-c2nccs2)c1
InChIInChI=1S/C14H20N4S/c1-2-8-17(7-1)10-5-15-12-13-4-3-9-18(13)14-16-6-11-19-14/h3-4,6,9,11,15H,1-2,5,7-8,10,12H2
InChIKeyANUILJSLWXUMSX-UHFFFAOYSA-N
XLogP2.12
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine (CID 3980958) is 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine is c1cc(CNCCN2CCCC2)n(-c2nccs2)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine?
The InChIKey is ANUILJSLWXUMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-2-8-17(7-1)10-5-15-12-13-4-3-9-18(13)14-16-6-11-19-14/h3-4,6,9,11,15H,1-2,5,7-8,10,12H2.
What are the key properties of 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine?
2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine has a molecular weight of 276.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 3980958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).