[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine

C10H17N3OS — CID 64581617

IUPAC[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCOCC1CCN(c2ncc(CN)s2)C1
InChIInChI=1S/C10H17N3OS/c1-14-7-8-2-3-13(6-8)10-12-5-9(4-11)15-10/h5,8H,2-4,6-7,11H2,1H3
InChIKeySXOSJAYHFIYKQE-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.07
Rot. Bonds4

About [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine

[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine (PubChem CID 64581617) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine
PubChem CID64581617
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine
SMILESCOCC1CCN(c2ncc(CN)s2)C1
InChIInChI=1S/C10H17N3OS/c1-14-7-8-2-3-13(6-8)10-12-5-9(4-11)15-10/h5,8H,2-4,6-7,11H2,1H3
InChIKeySXOSJAYHFIYKQE-UHFFFAOYSA-N
XLogP1.07
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine (CID 64581617) is [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine is COCC1CCN(c2ncc(CN)s2)C1.
What is the InChIKey of [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is SXOSJAYHFIYKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-14-7-8-2-3-13(6-8)10-12-5-9(4-11)15-10/h5,8H,2-4,6-7,11H2,1H3.
What are the key properties of [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine?
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 227.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 64581617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).