[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine

C10H17N3OS — CID 64581632

IUPAC[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine
SMILESCOCC1CCN(c2nc(CN)cs2)C1
InChIInChI=1S/C10H17N3OS/c1-14-6-8-2-3-13(5-8)10-12-9(4-11)7-15-10/h7-8H,2-6,11H2,1H3
InChIKeyDYNTZSDAJQTXBU-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.07
Rot. Bonds4

About [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine

[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine (PubChem CID 64581632) 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-4-yl]methanamine.

Molecular Properties

Compound Name[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine
PubChem CID64581632
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine
SMILESCOCC1CCN(c2nc(CN)cs2)C1
InChIInChI=1S/C10H17N3OS/c1-14-6-8-2-3-13(5-8)10-12-9(4-11)7-15-10/h7-8H,2-6,11H2,1H3
InChIKeyDYNTZSDAJQTXBU-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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Related Compounds

[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540672
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540681
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 64581617
methyl 3-[2-[4-(methoxymethyl)piperidin-1-yl]-1,3-thiazol-4-yl]propanoate
CID 107040390
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 24698861
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyridazin-3-yl]methanamine
CID 64581391
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754
1-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553166
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
[2-[(3S)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 97271520

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine (CID 64581632) is [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine is COCC1CCN(c2nc(CN)cs2)C1.
What is the InChIKey of [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is DYNTZSDAJQTXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-14-6-8-2-3-13(5-8)10-12-9(4-11)7-15-10/h7-8H,2-6,11H2,1H3.
What are the key properties of [2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine?
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-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-4-yl]methanamine is sourced from PubChem (CID 64581632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).