(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide

C13H17ClN2O2S — CID 124588399

IUPAC(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CSCN1
InChIInChI=1S/C13H17ClN2O2S/c1-16(13(17)11-7-19-8-15-11)6-9-5-10(14)3-4-12(9)18-2/h3-5,11,15H,6-8H2,1-2H3/t11-/m0/s1
InChIKeyDEFSGQLKKBBHPD-NSHDSACASA-N
MW300.81 g/mol
LogP1.97
Rot. Bonds4

About (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide

(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 124588399) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID124588399
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CSCN1
InChIInChI=1S/C13H17ClN2O2S/c1-16(13(17)11-7-19-8-15-11)6-9-5-10(14)3-4-12(9)18-2/h3-5,11,15H,6-8H2,1-2H3/t11-/m0/s1
InChIKeyDEFSGQLKKBBHPD-NSHDSACASA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266862
(2R,4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138507
(2R,4S)-N-[(5-chloro-2-methoxyphenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 125138973
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methylazetidine-3-carboxamide
CID 115158922
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909397
N-(3-chloro-4-methoxyphenyl)-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119337207
(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 93367241
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiomorpholine-3-carboxamide
CID 82909471
N-[(4-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 54869067
(2R)-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103808029
N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938155
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 119344769

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 124588399) is (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is COc1ccc(Cl)cc1CN(C)C(=O)[C@@H]1CSCN1.
What is the InChIKey of (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DEFSGQLKKBBHPD-NSHDSACASA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-16(13(17)11-7-19-8-15-11)6-9-5-10(14)3-4-12(9)18-2/h3-5,11,15H,6-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 300.81 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124588399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).