5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C16H20N2O2S — CID 131925255

IUPAC5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(C2CCN(Cc3cncs3)C2)c1OC
InChIInChI=1S/C16H20N2O2S/c1-19-15-5-3-4-14(16(15)20-2)12-6-7-18(9-12)10-13-8-17-11-21-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyIIIHIPZHRZADBE-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.15
Rot. Bonds5

About 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 131925255) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID131925255
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCOc1cccc(C2CCN(Cc3cncs3)C2)c1OC
InChIInChI=1S/C16H20N2O2S/c1-19-15-5-3-4-14(16(15)20-2)12-6-7-18(9-12)10-13-8-17-11-21-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyIIIHIPZHRZADBE-UHFFFAOYSA-N
XLogP3.15
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-pyridin-3-yl-1,2-oxazole
CID 135089018
3-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 134700481
2-[[(3S)-3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 124754070
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 77083033
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 172891886
4-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-phenyltriazole
CID 56898354
5-[(3-pyrimidin-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 141207736
5-[[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]methyl]-1,3-thiazole
CID 163350350
2-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 135106989
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
5-[[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125012821
[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 90650929

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 131925255) is 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is COc1cccc(C2CCN(Cc3cncs3)C2)c1OC.
What is the InChIKey of 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is IIIHIPZHRZADBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-19-15-5-3-4-14(16(15)20-2)12-6-7-18(9-12)10-13-8-17-11-21-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3.
What are the key properties of 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2,3-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131925255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).