(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide

C12H14Cl2N2O2S — CID 124596361

IUPAC(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CSCN1
InChIInChI=1S/C12H14Cl2N2O2S/c13-7-2-1-3-8(14)11(7)10(17)4-15-12(18)9-5-19-6-16-9/h1-3,9-10,16-17H,4-6H2,(H,15,18)/t9-,10+/m0/s1
InChIKeyIMMABYSBFZEKDX-VHSXEESVSA-N
MW321.23 g/mol
LogP1.81
Rot. Bonds4

About (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 124596361) has the molecular formula C12H14Cl2N2O2S and a molecular weight of 321.23 g/mol. Its IUPAC name is (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID124596361
Molecular FormulaC12H14Cl2N2O2S
Molecular Weight321.23 g/mol
Exact Mass320.02
IUPAC Name(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CSCN1
InChIInChI=1S/C12H14Cl2N2O2S/c13-7-2-1-3-8(14)11(7)10(17)4-15-12(18)9-5-19-6-16-9/h1-3,9-10,16-17H,4-6H2,(H,15,18)/t9-,10+/m0/s1
InChIKeyIMMABYSBFZEKDX-VHSXEESVSA-N
XLogP1.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596363
(4R)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124594947
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119328584
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119328583
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 119287192
(4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
CID 124568138
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750736
(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 103094179

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide (CID 124596361) is (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide is O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CSCN1.
What is the InChIKey of (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is IMMABYSBFZEKDX-VHSXEESVSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2S/c13-7-2-1-3-8(14)11(7)10(17)4-15-12(18)9-5-19-6-16-9/h1-3,9-10,16-17H,4-6H2,(H,15,18)/t9-,10+/m0/s1.
What are the key properties of (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 321.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124596361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).