(2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone

C16H16ClNOS2 — CID 7225825

IUPAC(2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone
SMILESCc1ccc([C@H]2SCCN2C(=O)[C@H](Cl)c2ccccc2)s1
InChIInChI=1S/C16H16ClNOS2/c1-11-7-8-13(21-11)16-18(9-10-20-16)15(19)14(17)12-5-3-2-4-6-12/h2-8,14,16H,9-10H2,1H3/t14-,16-/m1/s1
InChIKeyRWPPXAWAWFBYOK-GDBMZVCRSA-N
MW337.90 g/mol
LogP4.61
Rot. Bonds3

About (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone

(2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone (PubChem CID 7225825) has the molecular formula C16H16ClNOS2 and a molecular weight of 337.90 g/mol. Its IUPAC name is (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone
PubChem CID7225825
Molecular FormulaC16H16ClNOS2
Molecular Weight337.90 g/mol
Exact Mass337.04
IUPAC Name(2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone
SMILESCc1ccc([C@H]2SCCN2C(=O)[C@H](Cl)c2ccccc2)s1
InChIInChI=1S/C16H16ClNOS2/c1-11-7-8-13(21-11)16-18(9-10-20-16)15(19)14(17)12-5-3-2-4-6-12/h2-8,14,16H,9-10H2,1H3/t14-,16-/m1/s1
InChIKeyRWPPXAWAWFBYOK-GDBMZVCRSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
(2S)-2-chloro-2-phenyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 1024855
(2R)-2-chloro-1-[(2R)-2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-2-phenylethanone
CID 816020
(2R)-2-(5-methylthiophen-2-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7356533
(2-chlorophenyl)-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 7397507
(2S)-2-ethyl-1-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7439629
cyclopentyl-[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]methanone
CID 7237681
[(2S)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 7347840
[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone
CID 3630788
[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 (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone (CID 7225825) is (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone is Cc1ccc([C@H]2SCCN2C(=O)[C@H](Cl)c2ccccc2)s1.
What is the InChIKey of (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
The InChIKey is RWPPXAWAWFBYOK-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H16ClNOS2/c1-11-7-8-13(21-11)16-18(9-10-20-16)15(19)14(17)12-5-3-2-4-6-12/h2-8,14,16H,9-10H2,1H3/t14-,16-/m1/s1.
What are the key properties of (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone?
(2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone has a molecular weight of 337.90 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-[(2R)-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 7225825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).