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

C12H22N4S — CID 55127959

IUPAC1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCCC2CN(C)C)s1
InChIInChI=1S/C12H22N4S/c1-9(13)11-7-14-12(17-11)16-6-4-5-10(16)8-15(2)3/h7,9-10H,4-6,8,13H2,1-3H3
InChIKeyQJPPATOAVBWNJM-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.69
Rot. Bonds4

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

1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine (PubChem CID 55127959) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
PubChem CID55127959
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCCC2CN(C)C)s1
InChIInChI=1S/C12H22N4S/c1-9(13)11-7-14-12(17-11)16-6-4-5-10(16)8-15(2)3/h7,9-10H,4-6,8,13H2,1-3H3
InChIKeyQJPPATOAVBWNJM-UHFFFAOYSA-N
XLogP1.69
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine (CID 55127959) is 1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(N2CCCC2CN(C)C)s1.
What is the InChIKey of 1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine?
The InChIKey is QJPPATOAVBWNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-9(13)11-7-14-12(17-11)16-6-4-5-10(16)8-15(2)3/h7,9-10H,4-6,8,13H2,1-3H3.
What are the key properties of 1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine?
1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 55127959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).