N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide

C16H24N2O4S — CID 119344769

IUPACN-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)C2CSCN2)c1
InChIInChI=1S/C16H24N2O4S/c1-18(16(19)15-10-23-11-17-15)5-4-6-22-14-8-12(20-2)7-13(9-14)21-3/h7-9,15,17H,4-6,10-11H2,1-3H3
InChIKeyBJAKGVUQGQIEQG-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.59
Rot. Bonds8

About N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide

N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 119344769) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID119344769
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCOc1cc(OC)cc(OCCCN(C)C(=O)C2CSCN2)c1
InChIInChI=1S/C16H24N2O4S/c1-18(16(19)15-10-23-11-17-15)5-4-6-22-14-8-12(20-2)7-13(9-14)21-3/h7-9,15,17H,4-6,10-11H2,1-3H3
InChIKeyBJAKGVUQGQIEQG-UHFFFAOYSA-N
XLogP1.59
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 60938220
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpiperidine-2-carboxamide
CID 119344771
N-methyl-N-[3-(3-methylsulfonylphenoxy)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119306128
N-[2-(dimethylamino)ethyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 63695214
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylthiomorpholine-3-carboxamide
CID 82897571
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119820838
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110742655
(4R)-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 124588399
N-(3-hydroxybutyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 115734496
N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266862
3-amino-N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylcyclohexane-1-carboxamide
CID 119820809
N-methoxy-N-methyl-1,3-thiazolidine-4-carboxamide
CID 22922472

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 119344769) is N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide is COc1cc(OC)cc(OCCCN(C)C(=O)C2CSCN2)c1.
What is the InChIKey of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is BJAKGVUQGQIEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-18(16(19)15-10-23-11-17-15)5-4-6-22-14-8-12(20-2)7-13(9-14)21-3/h7-9,15,17H,4-6,10-11H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119344769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).