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

C9H15N3OS — CID 103540672

IUPAC[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
SMILESCOC1CCN(c2nc(CN)cs2)C1
InChIInChI=1S/C9H15N3OS/c1-13-8-2-3-12(5-8)9-11-7(4-10)6-14-9/h6,8H,2-5,10H2,1H3
InChIKeyOIMLKSJMGGXIHI-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.83
Rot. Bonds3

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

[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 103540672) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is [2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID103540672
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
SMILESCOC1CCN(c2nc(CN)cs2)C1
InChIInChI=1S/C9H15N3OS/c1-13-8-2-3-12(5-8)9-11-7(4-10)6-14-9/h6,8H,2-5,10H2,1H3
InChIKeyOIMLKSJMGGXIHI-UHFFFAOYSA-N
XLogP0.83
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-amine
CID 102547220
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine
CID 64581632
[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540681
ethyl 2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 90291460
3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 103486210
ethyl 3-[2-(4-methoxypiperidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103486208
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
4-ethyl-2-[(3S)-3-fluoropyrrolidin-1-yl]-1,3-thiazole
CID 70955040
2-(4-methoxypiperidin-1-yl)-1,3-thiazole-4-carbaldehyde
CID 89222120
methyl 2-[2-(3-methylpyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 80574515

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine (CID 103540672) is [2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine is COC1CCN(c2nc(CN)cs2)C1.
What is the InChIKey of [2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is OIMLKSJMGGXIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-13-8-2-3-12(5-8)9-11-7(4-10)6-14-9/h6,8H,2-5,10H2,1H3.
What are the key properties of [2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine?
[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 213.31 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 103540672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).