1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine

C12H21N3S — CID 115089818

IUPAC1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCN(C(C)C)C2)s1
InChIInChI=1S/C12H21N3S/c1-8(2)15-5-4-10(7-15)12-14-6-11(16-12)9(3)13/h6,8-10H,4-5,7,13H2,1-3H3
InChIKeyXQUAYIFOOJLUHY-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.36
Rot. Bonds3

About 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 115089818) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID115089818
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCN(C(C)C)C2)s1
InChIInChI=1S/C12H21N3S/c1-8(2)15-5-4-10(7-15)12-14-6-11(16-12)9(3)13/h6,8-10H,4-5,7,13H2,1-3H3
InChIKeyXQUAYIFOOJLUHY-UHFFFAOYSA-N
XLogP2.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090336
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115089816
2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090387
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
CID 115089756
1-[2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 112681621
1-[2-(thian-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089939
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089779
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084987
1-[2-(1,1-dioxothian-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115090388
2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115089931
1-(2-cycloheptyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 65399762
2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanol
CID 115089907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine (CID 115089818) is 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(C2CCN(C(C)C)C2)s1.
What is the InChIKey of 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is XQUAYIFOOJLUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)15-5-4-10(7-15)12-14-6-11(16-12)9(3)13/h6,8-10H,4-5,7,13H2,1-3H3.
What are the key properties of 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115089818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).