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

C10H17N3O2S — CID 103540681

IUPAC[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
SMILESCOC1CN(c2nc(CN)cs2)CC1OC
InChIInChI=1S/C10H17N3O2S/c1-14-8-4-13(5-9(8)15-2)10-12-7(3-11)6-16-10/h6,8-9H,3-5,11H2,1-2H3
InChIKeySJUQYYVFIGZJEL-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.45
Rot. Bonds4

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

[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 103540681) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is [2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID103540681
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
SMILESCOC1CN(c2nc(CN)cs2)CC1OC
InChIInChI=1S/C10H17N3O2S/c1-14-8-4-13(5-9(8)15-2)10-12-7(3-11)6-16-10/h6,8-9H,3-5,11H2,1-2H3
InChIKeySJUQYYVFIGZJEL-UHFFFAOYSA-N
XLogP0.45
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(chloromethyl)-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazole
CID 103536912
ethyl 2-[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]acetate
CID 103541690
[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine
CID 103540672
[2-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazol-4-yl]methanamine
CID 64581632
[4-butan-2-yl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 103540379
[4-cyclopropyl-2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 103540374
carbon dioxide;4-ethyl-2-[(3R)-3-methoxypyrrolidin-1-yl]-1,3-thiazole
CID 161487034
[2-(3,4-dimethoxypyrrolidin-1-yl)-6-propan-2-yl-4-pyridinyl]methanamine
CID 103539567
2-[1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802425
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 103540244
ethyl 3-[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 103487842
methyl 2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]acetate
CID 80576427

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine (CID 103540681) is [2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine is COC1CN(c2nc(CN)cs2)CC1OC.
What is the InChIKey of [2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is SJUQYYVFIGZJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-14-8-4-13(5-9(8)15-2)10-12-7(3-11)6-16-10/h6,8-9H,3-5,11H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine?
[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 243.33 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 103540681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).