N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C11H13N3O3S — CID 43599815

IUPACN-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CSC(=O)N2)cc1N
InChIInChI=1S/C11H13N3O3S/c1-17-9-3-2-6(4-7(9)12)13-10(15)8-5-18-11(16)14-8/h2-4,8H,5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyBWZHMITUUAXLPD-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.04
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 43599815) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID43599815
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CSC(=O)N2)cc1N
InChIInChI=1S/C11H13N3O3S/c1-17-9-3-2-6(4-7(9)12)13-10(15)8-5-18-11(16)14-8/h2-4,8H,5,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyBWZHMITUUAXLPD-UHFFFAOYSA-N
XLogP1.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63334680
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945
N-(3-amino-4-methoxyphenyl)oxane-2-carboxamide
CID 62215161
N-(3-chloro-4-methoxyphenyl)-5-oxothiomorpholine-3-carboxamide
CID 110695548
2-methyl-2-[4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]propanoic acid
CID 80549468
2-chloro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 61398506
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
N-(3-amino-4-methoxyphenyl)-4-phenylcyclohexane-1-carboxamide
CID 119419715
N-(3-amino-4-methoxyphenyl)-1,1-dioxothiane-2-carboxamide
CID 104517382

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 43599815) is N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is COc1ccc(NC(=O)C2CSC(=O)N2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is BWZHMITUUAXLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S/c1-17-9-3-2-6(4-7(9)12)13-10(15)8-5-18-11(16)14-8/h2-4,8H,5,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 267.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43599815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).