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

C16H17FN2OS — CID 67514600

IUPAC[2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1csc([C@H]2CCCN2C(=O)c2ccccc2CF)n1
InChIInChI=1S/C16H17FN2OS/c1-11-10-21-15(18-11)14-7-4-8-19(14)16(20)13-6-3-2-5-12(13)9-17/h2-3,5-6,10,14H,4,7-9H2,1H3/t14-/m1/s1
InChIKeyAPLHRUGOPSZSAC-CQSZACIVSA-N
MW304.39 g/mol
LogP3.90
Rot. Bonds3

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

[2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 67514600) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID67514600
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name[2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1csc([C@H]2CCCN2C(=O)c2ccccc2CF)n1
InChIInChI=1S/C16H17FN2OS/c1-11-10-21-15(18-11)14-7-4-8-19(14)16(20)13-6-3-2-5-12(13)9-17/h2-3,5-6,10,14H,4,7-9H2,1H3/t14-/m1/s1
InChIKeyAPLHRUGOPSZSAC-CQSZACIVSA-N
XLogP3.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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CID 1473492
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CID 25113054
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CID 723245
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CID 3244736
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CID 7119101
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Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 67514600) is [2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is Cc1csc([C@H]2CCCN2C(=O)c2ccccc2CF)n1.
What is the InChIKey of [2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is APLHRUGOPSZSAC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-10-21-15(18-11)14-7-4-8-19(14)16(20)13-6-3-2-5-12(13)9-17/h2-3,5-6,10,14H,4,7-9H2,1H3/t14-/m1/s1.
What are the key properties of [2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
[2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 67514600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).