(2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

C18H16N2OS2 — CID 51949242

IUPAC(2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C18H16N2OS2/c21-18(20-9-4-7-15(20)14-8-10-22-12-14)16-11-19-17(23-16)13-5-2-1-3-6-13/h1-3,5-6,8,10-12,15H,4,7,9H2/t15-/m0/s1
InChIKeyWTLGBJPUYTWODB-HNNXBMFYSA-N
MW340.47 g/mol
LogP4.85
Rot. Bonds3

About (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

(2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (PubChem CID 51949242) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
PubChem CID51949242
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H]1c1ccsc1
InChIInChI=1S/C18H16N2OS2/c21-18(20-9-4-7-15(20)14-8-10-22-12-14)16-11-19-17(23-16)13-5-2-1-3-6-13/h1-3,5-6,8,10-12,15H,4,7,9H2/t15-/m0/s1
InChIKeyWTLGBJPUYTWODB-HNNXBMFYSA-N
XLogP4.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(2-phenyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 94773926
5-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 124701017
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
(6-fluoro-2-pyridinyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 115497489
(6-methyl-2-pyridinyl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51948058
(2R,3R)-2-methyl-1-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116408
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51947990

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone (CID 51949242) is (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is O=C(c1cnc(-c2ccccc2)s1)N1CCC[C@H]1c1ccsc1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is WTLGBJPUYTWODB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c21-18(20-9-4-7-15(20)14-8-10-22-12-14)16-11-19-17(23-16)13-5-2-1-3-6-13/h1-3,5-6,8,10-12,15H,4,7,9H2/t15-/m0/s1.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone?
(2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 51949242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).