1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine

C12H19N3S — CID 115562408

IUPAC1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CC3CCCC3C2)s1
InChIInChI=1S/C12H19N3S/c1-8(13)11-5-14-12(16-11)15-6-9-3-2-4-10(9)7-15/h5,8-10H,2-4,6-7,13H2,1H3
InChIKeyJVXQLWQLFOYZJF-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.40
Rot. Bonds2

About 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine

1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 115562408) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID115562408
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CC3CCCC3C2)s1
InChIInChI=1S/C12H19N3S/c1-8(13)11-5-14-12(16-11)15-6-9-3-2-4-10(9)7-15/h5,8-10H,2-4,6-7,13H2,1H3
InChIKeyJVXQLWQLFOYZJF-UHFFFAOYSA-N
XLogP2.40
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine (CID 115562408) is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(N2CC3CCCC3C2)s1.
What is the InChIKey of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is JVXQLWQLFOYZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8(13)11-5-14-12(16-11)15-6-9-3-2-4-10(9)7-15/h5,8-10H,2-4,6-7,13H2,1H3.
What are the key properties of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 237.37 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 115562408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).