3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

C15H20N2O3S — CID 51093664

IUPAC3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSCN2C(C)=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-11(18)17-10-21-9-14(17)15(19)16-8-7-12-3-5-13(20-2)6-4-12/h3-6,14H,7-10H2,1-2H3,(H,16,19)
InChIKeyLAIBIYVSMMRDAH-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.28
Rot. Bonds5

About 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 51093664) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID51093664
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CSCN2C(C)=O)cc1
InChIInChI=1S/C15H20N2O3S/c1-11(18)17-10-21-9-14(17)15(19)16-8-7-12-3-5-13(20-2)6-4-12/h3-6,14H,7-10H2,1-2H3,(H,16,19)
InChIKeyLAIBIYVSMMRDAH-UHFFFAOYSA-N
XLogP1.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255611
methyl 4-[2-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)amino]ethyl]benzoate
CID 55515178
N-[2-(4-methoxyphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 42999121
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-[2-(4-methoxyphenyl)ethyl]thiolane-2-carboxamide
CID 71926113
(3R,9bS)-N-[2-(4-methoxyphenyl)ethyl]-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7092993
N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
CID 126828920
(1S,6R)-6-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 737691
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 51093664) is 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is COc1ccc(CCNC(=O)C2CSCN2C(C)=O)cc1.
What is the InChIKey of 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is LAIBIYVSMMRDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-11(18)17-10-21-9-14(17)15(19)16-8-7-12-3-5-13(20-2)6-4-12/h3-6,14H,7-10H2,1-2H3,(H,16,19).
What are the key properties of 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 51093664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).