3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole

C16H19FN2OS — CID 167781479

IUPAC3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole
SMILESCOc1c(F)cccc1CC1CCCN1Cc1ccsn1
InChIInChI=1S/C16H19FN2OS/c1-20-16-12(4-2-6-15(16)17)10-14-5-3-8-19(14)11-13-7-9-21-18-13/h2,4,6-7,9,14H,3,5,8,10-11H2,1H3
InChIKeyPNRUCZQUXPJCHB-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.50
Rot. Bonds5

About 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole

3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole (PubChem CID 167781479) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole.

Molecular Properties

Compound Name3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole
PubChem CID167781479
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC Name3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole
SMILESCOc1c(F)cccc1CC1CCCN1Cc1ccsn1
InChIInChI=1S/C16H19FN2OS/c1-20-16-12(4-2-6-15(16)17)10-14-5-3-8-19(14)11-13-7-9-21-18-13/h2,4,6-7,9,14H,3,5,8,10-11H2,1H3
InChIKeyPNRUCZQUXPJCHB-UHFFFAOYSA-N
XLogP3.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole?
The IUPAC name of 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole (CID 167781479) is 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole.
What is the SMILES notation for 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole?
The canonical SMILES for 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole is COc1c(F)cccc1CC1CCCN1Cc1ccsn1.
What is the InChIKey of 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole?
The InChIKey is PNRUCZQUXPJCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-20-16-12(4-2-6-15(16)17)10-14-5-3-8-19(14)11-13-7-9-21-18-13/h2,4,6-7,9,14H,3,5,8,10-11H2,1H3.
What are the key properties of 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole?
3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole has a molecular weight of 306.41 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole is sourced from PubChem (CID 167781479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).