(2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one

C16H25NOS2 — CID 7439629

IUPAC(2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one
SMILESCCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccc(C)s1
InChIInChI=1S/C16H25NOS2/c1-4-6-7-13(5-2)15(18)17-10-11-19-16(17)14-9-8-12(3)20-14/h8-9,13,16H,4-7,10-11H2,1-3H3/t13-,16-/m0/s1
InChIKeyUXPMXSPDQAQWNH-BBRMVZONSA-N
MW311.52 g/mol
LogP4.85
Rot. Bonds6

About (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one

(2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one (PubChem CID 7439629) has the molecular formula C16H25NOS2 and a molecular weight of 311.52 g/mol. Its IUPAC name is (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one.

Molecular Properties

Compound Name(2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one
PubChem CID7439629
Molecular FormulaC16H25NOS2
Molecular Weight311.52 g/mol
Exact Mass311.14
IUPAC Name(2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one
SMILESCCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccc(C)s1
InChIInChI=1S/C16H25NOS2/c1-4-6-7-13(5-2)15(18)17-10-11-19-16(17)14-9-8-12(3)20-14/h8-9,13,16H,4-7,10-11H2,1-3H3/t13-,16-/m0/s1
InChIKeyUXPMXSPDQAQWNH-BBRMVZONSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.52
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one with MolForge

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Related Compounds

(2R)-1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7411665
(2S)-1-[(2S)-2-(2,3-dichlorophenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7355994
(2R)-1-[(2S)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7398758
(2S)-1-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]-2-ethylhexan-1-one
CID 7249096
(2S)-2-ethyl-1-[(2S)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 93114988
1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
CID 7495136
1-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2,2-diphenylethanone
CID 4575525
(2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 7225825
2-ethyl-1-[2-(3-methoxy-4-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 3309576
cyclopentyl-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 7237681
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-naphthalen-1-ylmethanone
CID 4112872
(4-bromophenyl)-[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 4094359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one?
The IUPAC name of (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one (CID 7439629) is (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one.
What is the SMILES notation for (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one?
The canonical SMILES for (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one is CCCC[C@H](CC)C(=O)N1CCS[C@H]1c1ccc(C)s1.
What is the InChIKey of (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one?
The InChIKey is UXPMXSPDQAQWNH-BBRMVZONSA-N. The full InChI is InChI=1S/C16H25NOS2/c1-4-6-7-13(5-2)15(18)17-10-11-19-16(17)14-9-8-12(3)20-14/h8-9,13,16H,4-7,10-11H2,1-3H3/t13-,16-/m0/s1.
What are the key properties of (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one?
(2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one has a molecular weight of 311.52 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one is sourced from PubChem (CID 7439629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).