[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone

C20H16F2N2OS — CID 97201597

IUPAC[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccccc2F)n1)N1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H16F2N2OS/c21-14-9-7-13(8-10-14)18-6-3-11-24(18)20(25)17-12-26-19(23-17)15-4-1-2-5-16(15)22/h1-2,4-5,7-10,12,18H,3,6,11H2/t18-/m0/s1
InChIKeyVDXFNHRRMDWVPA-SFHVURJKSA-N
MW370.42 g/mol
LogP5.07
Rot. Bonds3

About [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone

[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone (PubChem CID 97201597) has the molecular formula C20H16F2N2OS and a molecular weight of 370.42 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
PubChem CID97201597
Molecular FormulaC20H16F2N2OS
Molecular Weight370.42 g/mol
Exact Mass370.10
IUPAC Name[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccccc2F)n1)N1CCC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H16F2N2OS/c21-14-9-7-13(8-10-14)18-6-3-11-24(18)20(25)17-12-26-19(23-17)15-4-1-2-5-16(15)22/h1-2,4-5,7-10,12,18H,3,6,11H2/t18-/m0/s1
InChIKeyVDXFNHRRMDWVPA-SFHVURJKSA-N
XLogP5.07
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone with MolForge

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Related Compounds

(2R)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370414
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 24658232
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119651638
(3-aminopiperidin-1-yl)-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 119381129
[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95972666
[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 124575758
[2-(4-fluorophenyl)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70770427
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166599
[(3R)-3-aminopyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119412889
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone (CID 97201597) is [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccccc2F)n1)N1CCC[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is VDXFNHRRMDWVPA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H16F2N2OS/c21-14-9-7-13(8-10-14)18-6-3-11-24(18)20(25)17-12-26-19(23-17)15-4-1-2-5-16(15)22/h1-2,4-5,7-10,12,18H,3,6,11H2/t18-/m0/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone?
[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 370.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 97201597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).