[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

C17H21N3O2S — CID 125146059

IUPAC[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESCNC[C@H]1CCN(C(=O)c2ccccc2OCc2cscn2)C1
InChIInChI=1S/C17H21N3O2S/c1-18-8-13-6-7-20(9-13)17(21)15-4-2-3-5-16(15)22-10-14-11-23-12-19-14/h2-5,11-13,18H,6-10H2,1H3/t13-/m1/s1
InChIKeyCFXKZNNZKCIUEM-CYBMUJFWSA-N
MW331.44 g/mol
LogP2.40
Rot. Bonds6

About [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (PubChem CID 125146059) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
PubChem CID125146059
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESCNC[C@H]1CCN(C(=O)c2ccccc2OCc2cscn2)C1
InChIInChI=1S/C17H21N3O2S/c1-18-8-13-6-7-20(9-13)17(21)15-4-2-3-5-16(15)22-10-14-11-23-12-19-14/h2-5,11-13,18H,6-10H2,1H3/t13-/m1/s1
InChIKeyCFXKZNNZKCIUEM-CYBMUJFWSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone with MolForge

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Related Compounds

(1S,6R,7R)-3-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254770
(3S)-1-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 99638936
[2-(2-ethoxyphenoxy)phenyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613165
[3-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63263187
(2-cyclohexyloxyphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125147466
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119545027
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119397448
[2-(3-bromophenoxy)phenyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124613114
1-(2-methylpiperidin-1-yl)-2-[4-[2-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78848467
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
CID 124613022

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The IUPAC name of [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (CID 125146059) is [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The canonical SMILES for [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is CNC[C@H]1CCN(C(=O)c2ccccc2OCc2cscn2)C1.
What is the InChIKey of [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The InChIKey is CFXKZNNZKCIUEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-18-8-13-6-7-20(9-13)17(21)15-4-2-3-5-16(15)22-10-14-11-23-12-19-14/h2-5,11-13,18H,6-10H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone has a molecular weight of 331.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 125146059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).