2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C14H15FN2S — CID 99947605

IUPAC2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc([C@@H]2CCCN2Cc2nccs2)cc1
InChIInChI=1S/C14H15FN2S/c15-12-5-3-11(4-6-12)13-2-1-8-17(13)10-14-16-7-9-18-14/h3-7,9,13H,1-2,8,10H2/t13-/m0/s1
InChIKeyFJOMPYNCOZKYAI-ZDUSSCGKSA-N
MW262.35 g/mol
LogP3.62
Rot. Bonds3

About 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 99947605) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID99947605
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESFc1ccc([C@@H]2CCCN2Cc2nccs2)cc1
InChIInChI=1S/C14H15FN2S/c15-12-5-3-11(4-6-12)13-2-1-8-17(13)10-14-16-7-9-18-14/h3-7,9,13H,1-2,8,10H2/t13-/m0/s1
InChIKeyFJOMPYNCOZKYAI-ZDUSSCGKSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
2-[[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124641351
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
2-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120769103
1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 77094517
7-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92830397
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99939665
2-[(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118108
2-[[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124962159

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 99947605) is 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is Fc1ccc([C@@H]2CCCN2Cc2nccs2)cc1.
What is the InChIKey of 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FJOMPYNCOZKYAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-12-5-3-11(4-6-12)13-2-1-8-17(13)10-14-16-7-9-18-14/h3-7,9,13H,1-2,8,10H2/t13-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 262.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 99947605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).