2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine

C12H21N3S — CID 115090123

IUPAC2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCN1CCC(Cc2ncc(CCN)s2)C1
InChIInChI=1S/C12H21N3S/c1-2-15-6-4-10(9-15)7-12-14-8-11(16-12)3-5-13/h8,10H,2-7,9,13H2,1H3
InChIKeyWBVYXDLNBIUWJY-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.53
Rot. Bonds5

About 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine

2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 115090123) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
PubChem CID115090123
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
SMILESCCN1CCC(Cc2ncc(CCN)s2)C1
InChIInChI=1S/C12H21N3S/c1-2-15-6-4-10(9-15)7-12-14-8-11(16-12)3-5-13/h8,10H,2-7,9,13H2,1H3
InChIKeyWBVYXDLNBIUWJY-UHFFFAOYSA-N
XLogP1.53
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine (CID 115090123) is 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine is CCN1CCC(Cc2ncc(CCN)s2)C1.
What is the InChIKey of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is WBVYXDLNBIUWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-15-6-4-10(9-15)7-12-14-8-11(16-12)3-5-13/h8,10H,2-7,9,13H2,1H3.
What are the key properties of 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine?
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115090123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).