(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C13H18N2OS — CID 141124535

IUPAC(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCc1ccccc1CNC(=O)[C@@H]1CSCN1
InChIInChI=1S/C13H18N2OS/c1-2-10-5-3-4-6-11(10)7-14-13(16)12-8-17-9-15-12/h3-6,12,15H,2,7-9H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyZMWKMQLDMOHOKP-LBPRGKRZSA-N
MW250.37 g/mol
LogP1.53
Rot. Bonds4

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

(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 141124535) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is (4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID141124535
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCc1ccccc1CNC(=O)[C@@H]1CSCN1
InChIInChI=1S/C13H18N2OS/c1-2-10-5-3-4-6-11(10)7-14-13(16)12-8-17-9-15-12/h3-6,12,15H,2,7-9H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyZMWKMQLDMOHOKP-LBPRGKRZSA-N
XLogP1.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124694508
(4R)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124595922
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584
(4R)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124695969
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281335
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[[2-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119320233
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-[(2-ethylphenyl)methyl]-4-methylpiperidine-2-carboxamide
CID 114424125
N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 114956035

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 141124535) is (4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is CCc1ccccc1CNC(=O)[C@@H]1CSCN1.
What is the InChIKey of (4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZMWKMQLDMOHOKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-10-5-3-4-6-11(10)7-14-13(16)12-8-17-9-15-12/h3-6,12,15H,2,7-9H2,1H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 250.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 141124535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).