(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone

C19H23NOS2 — CID 7360731

IUPAC(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
SMILESCCCCCc1ccc(C(=O)N2CCS[C@@H]2c2cccs2)cc1
InChIInChI=1S/C19H23NOS2/c1-2-3-4-6-15-8-10-16(11-9-15)18(21)20-12-14-23-19(20)17-7-5-13-22-17/h5,7-11,13,19H,2-4,6,12,14H2,1H3/t19-/m1/s1
InChIKeyQWAXUOWGLIQONS-LJQANCHMSA-N
MW345.53 g/mol
LogP5.37
Rot. Bonds6

About (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone

(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone (PubChem CID 7360731) has the molecular formula C19H23NOS2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
PubChem CID7360731
Molecular FormulaC19H23NOS2
Molecular Weight345.53 g/mol
Exact Mass345.12
IUPAC Name(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
SMILESCCCCCc1ccc(C(=O)N2CCS[C@@H]2c2cccs2)cc1
InChIInChI=1S/C19H23NOS2/c1-2-3-4-6-15-8-10-16(11-9-15)18(21)20-12-14-23-19(20)17-7-5-13-22-17/h5,7-11,13,19H,2-4,6,12,14H2,1H3/t19-/m1/s1
InChIKeyQWAXUOWGLIQONS-LJQANCHMSA-N
XLogP5.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 7350573
(4-bromophenyl)-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)methanone
CID 3439384
(4-butylphenyl)-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]methanone
CID 7419009
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-(4-pentylphenyl)methanone
CID 4206772
[2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-(4-hexylphenyl)methanone
CID 4160929
(2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 816261
(3-chlorophenyl)-[(2S)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 815506
N,N-dimethyl-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 42781016
2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 5210952
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-(4-propylphenyl)methanone
CID 121191635
2-phenoxy-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
CID 42781009
(4R)-3-(4-butylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144010

Frequently Asked Questions

What is the IUPAC name of (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone (CID 7360731) is (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone is CCCCCc1ccc(C(=O)N2CCS[C@@H]2c2cccs2)cc1.
What is the InChIKey of (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone?
The InChIKey is QWAXUOWGLIQONS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NOS2/c1-2-3-4-6-15-8-10-16(11-9-15)18(21)20-12-14-23-19(20)17-7-5-13-22-17/h5,7-11,13,19H,2-4,6,12,14H2,1H3/t19-/m1/s1.
What are the key properties of (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone?
(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone has a molecular weight of 345.53 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 7360731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).