1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine

C13H23N3OS — CID 54962417

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine
SMILESCOC1CNC(CNC(C)c2sc(C)nc2C)C1
InChIInChI=1S/C13H23N3OS/c1-8(13-9(2)16-10(3)18-13)14-6-11-5-12(17-4)7-15-11/h8,11-12,14-15H,5-7H2,1-4H3
InChIKeyNDYTVVPTGDQGFN-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.79
Rot. Bonds5

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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine (PubChem CID 54962417) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine
PubChem CID54962417
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine
SMILESCOC1CNC(CNC(C)c2sc(C)nc2C)C1
InChIInChI=1S/C13H23N3OS/c1-8(13-9(2)16-10(3)18-13)14-6-11-5-12(17-4)7-15-11/h8,11-12,14-15H,5-7H2,1-4H3
InChIKeyNDYTVVPTGDQGFN-UHFFFAOYSA-N
XLogP1.79
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine (CID 54962417) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine is COC1CNC(CNC(C)c2sc(C)nc2C)C1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is NDYTVVPTGDQGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8(13-9(2)16-10(3)18-13)14-6-11-5-12(17-4)7-15-11/h8,11-12,14-15H,5-7H2,1-4H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 269.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methoxypyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 54962417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).