1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C12H21N3O2S — CID 103540244

IUPAC1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOC1CN(c2nc(C)c(C(C)N)s2)CC1OC
InChIInChI=1S/C12H21N3O2S/c1-7(13)11-8(2)14-12(18-11)15-5-9(16-3)10(6-15)17-4/h7,9-10H,5-6,13H2,1-4H3
InChIKeyQFFOVUOCNZJZRJ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.32
Rot. Bonds4

About 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 103540244) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID103540244
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCOC1CN(c2nc(C)c(C(C)N)s2)CC1OC
InChIInChI=1S/C12H21N3O2S/c1-7(13)11-8(2)14-12(18-11)15-5-9(16-3)10(6-15)17-4/h7,9-10H,5-6,13H2,1-4H3
InChIKeyQFFOVUOCNZJZRJ-UHFFFAOYSA-N
XLogP1.32
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 103540244) is 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is COC1CN(c2nc(C)c(C(C)N)s2)CC1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is QFFOVUOCNZJZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-7(13)11-8(2)14-12(18-11)15-5-9(16-3)10(6-15)17-4/h7,9-10H,5-6,13H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 271.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 103540244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).