N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

C14H20N2O3S — CID 110793789

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOc1ccc(CNC(=O)C2CSCN2)cc1
InChIInChI=1S/C14H20N2O3S/c1-18-6-7-19-12-4-2-11(3-5-12)8-15-14(17)13-9-20-10-16-13/h2-5,13,16H,6-10H2,1H3,(H,15,17)
InChIKeyVCYDCSIXTVMUJA-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.99
Rot. Bonds7

About N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide

N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110793789) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110793789
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOCCOc1ccc(CNC(=O)C2CSCN2)cc1
InChIInChI=1S/C14H20N2O3S/c1-18-6-7-19-12-4-2-11(3-5-12)8-15-14(17)13-9-20-10-16-13/h2-5,13,16H,6-10H2,1H3,(H,15,17)
InChIKeyVCYDCSIXTVMUJA-UHFFFAOYSA-N
XLogP0.99
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 119289286
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794499
N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288940
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride
CID 119302039
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61016722

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide (CID 110793789) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is COCCOc1ccc(CNC(=O)C2CSCN2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VCYDCSIXTVMUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-18-6-7-19-12-4-2-11(3-5-12)8-15-14(17)13-9-20-10-16-13/h2-5,13,16H,6-10H2,1H3,(H,15,17).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110793789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).