N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

C14H20N2O2S — CID 110795136

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)C1CSCN1
InChIInChI=1S/C14H20N2O2S/c1-10-3-4-13(18-2)11(7-10)5-6-15-14(17)12-8-19-9-16-12/h3-4,7,12,16H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyOFCFLLQTVYDKCN-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110795136) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110795136
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C)cc1CCNC(=O)C1CSCN1
InChIInChI=1S/C14H20N2O2S/c1-10-3-4-13(18-2)11(7-10)5-6-15-14(17)12-8-19-9-16-12/h3-4,7,12,16H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyOFCFLLQTVYDKCN-UHFFFAOYSA-N
XLogP1.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795893
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767
N-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795275
N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795242
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795340
N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119341073
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
(3R)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39968150

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110795136) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is COc1ccc(C)cc1CCNC(=O)C1CSCN1.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is OFCFLLQTVYDKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-3-4-13(18-2)11(7-10)5-6-15-14(17)12-8-19-9-16-12/h3-4,7,12,16H,5-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110795136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).