N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C14H25N3O2S — CID 103540249

IUPACN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOC1CN(c2ncc(CNCC(C)C)s2)CC1OC
InChIInChI=1S/C14H25N3O2S/c1-10(2)5-15-6-11-7-16-14(20-11)17-8-12(18-3)13(9-17)19-4/h7,10,12-13,15H,5-6,8-9H2,1-4H3
InChIKeyUQTKOCVABUAQPU-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.74
Rot. Bonds7

About N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 103540249) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID103540249
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCOC1CN(c2ncc(CNCC(C)C)s2)CC1OC
InChIInChI=1S/C14H25N3O2S/c1-10(2)5-15-6-11-7-16-14(20-11)17-8-12(18-3)13(9-17)19-4/h7,10,12-13,15H,5-6,8-9H2,1-4H3
InChIKeyUQTKOCVABUAQPU-UHFFFAOYSA-N
XLogP1.74
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
N,N,4-trimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 81470274
N-[[2-(4-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62754074
N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 63168205
2-methyl-N-[[2-(2,2,6,6-tetramethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102746189
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381080
N-[[2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 102968411
N-[[2-(2,2-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62751980
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62749865
N-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65322638
N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62751920
N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539529

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 103540249) is N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is COC1CN(c2ncc(CNCC(C)C)s2)CC1OC.
What is the InChIKey of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UQTKOCVABUAQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10(2)5-15-6-11-7-16-14(20-11)17-8-12(18-3)13(9-17)19-4/h7,10,12-13,15H,5-6,8-9H2,1-4H3.
What are the key properties of N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103540249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).