(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

C19H20ClNO2S — CID 1025017

IUPAC(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CCS[C@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H20ClNO2S/c1-14(20)18(22)21-11-12-24-19(21)16-9-5-6-10-17(16)23-13-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-,19+/m1/s1
InChIKeyXHBATNWPFONWGW-KUHUBIRLSA-N
MW361.89 g/mol
LogP4.47
Rot. Bonds5

About (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one

(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 1025017) has the molecular formula C19H20ClNO2S and a molecular weight of 361.89 g/mol. Its IUPAC name is (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID1025017
Molecular FormulaC19H20ClNO2S
Molecular Weight361.89 g/mol
Exact Mass361.09
IUPAC Name(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CCS[C@H]1c1ccccc1OCc1ccccc1
InChIInChI=1S/C19H20ClNO2S/c1-14(20)18(22)21-11-12-24-19(21)16-9-5-6-10-17(16)23-13-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-,19+/m1/s1
InChIKeyXHBATNWPFONWGW-KUHUBIRLSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 54.47
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

2-phenyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 5240450
3,3-dimethyl-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 4113607
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]hexan-1-one
CID 7271195
2-(4-methoxyphenyl)-1-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 3488865
(2S)-N-(4-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025935
N-(2-methylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3443651
1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]-2-thiophen-2-ylethanone
CID 93115036
(2-phenylcyclopropyl)-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4065802
naphthalen-1-yl-[2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 3647053
N-(2-ethylphenyl)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5069506
ethyl 2-[[(2R)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine-3-carbonyl]amino]acetate
CID 7297696
3-(4-tert-butylphenyl)sulfonyl-2-(2-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3632949

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 1025017) is (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is C[C@@H](Cl)C(=O)N1CCS[C@H]1c1ccccc1OCc1ccccc1.
What is the InChIKey of (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is XHBATNWPFONWGW-KUHUBIRLSA-N. The full InChI is InChI=1S/C19H20ClNO2S/c1-14(20)18(22)21-11-12-24-19(21)16-9-5-6-10-17(16)23-13-15-7-3-2-4-8-15/h2-10,14,19H,11-13H2,1H3/t14-,19+/m1/s1.
What are the key properties of (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one?
(2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 361.89 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-[(2S)-2-(2-phenylmethoxyphenyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 1025017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).