2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

C18H20N2O2S2 — CID 10247989

IUPAC2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C([C@@H]1CSCN1C(=O)Cc1cc2ccccc2s1)N1CCCC1
InChIInChI=1S/C18H20N2O2S2/c21-17(10-14-9-13-5-1-2-6-16(13)24-14)20-12-23-11-15(20)18(22)19-7-3-4-8-19/h1-2,5-6,9,15H,3-4,7-8,10-12H2/t15-/m0/s1
InChIKeyFJKNJEJCVDBMRH-HNNXBMFYSA-N
MW360.50 g/mol
LogP2.97
Rot. Bonds3

About 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 10247989) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID10247989
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C([C@@H]1CSCN1C(=O)Cc1cc2ccccc2s1)N1CCCC1
InChIInChI=1S/C18H20N2O2S2/c21-17(10-14-9-13-5-1-2-6-16(13)24-14)20-12-23-11-15(20)18(22)19-7-3-4-8-19/h1-2,5-6,9,15H,3-4,7-8,10-12H2/t15-/m0/s1
InChIKeyFJKNJEJCVDBMRH-HNNXBMFYSA-N
XLogP2.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

PD 117302
CID 122115
(2S,4S)-1-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propanoyl]-4-fluoropyrrolidine-2-carbonitrile
CID 10269517
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 13911081
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 13911083
(S)-benzo[b]thiophen-2-yl(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)methanone
CID 15604794
2-(1-benzothiophen-3-yl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 18607196
N-Cyclopentyl-2-[phenethyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 3202479
1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl]-2-(4,5,6,7-tetrahydro-benzo[b]thiophen-5-yl)-ethanone
CID 10021707
2-(1-benzothiophen-3-yl)-1-[(2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 44448431
2-(1-benzothiophen-7-yl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 45260036
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]propanamide;hydrochloride
CID 45260403
2-(1-benzothiophen-4-yl)-N-methyl-N-[(1R,2R)-2-[methyl(2-thiophen-2-ylethyl)amino]cyclohexyl]acetamide;hydrochloride
CID 45262924

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (CID 10247989) is 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is O=C([C@@H]1CSCN1C(=O)Cc1cc2ccccc2s1)N1CCCC1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is FJKNJEJCVDBMRH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c21-17(10-14-9-13-5-1-2-6-16(13)24-14)20-12-23-11-15(20)18(22)19-7-3-4-8-19/h1-2,5-6,9,15H,3-4,7-8,10-12H2/t15-/m0/s1.
What are the key properties of 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 360.50 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 10247989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).