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

C16H23N3O3S — CID 119419740

IUPACN-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CSCN2C(=O)C(C)(C)C)cc1N
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)15(21)19-9-23-8-12(19)14(20)18-10-5-6-13(22-4)11(17)7-10/h5-7,12H,8-9,17H2,1-4H3,(H,18,20)
InChIKeyZSODQINRUTVQJX-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.16
Rot. Bonds3

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

N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 119419740) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID119419740
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CSCN2C(=O)C(C)(C)C)cc1N
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)15(21)19-9-23-8-12(19)14(20)18-10-5-6-13(22-4)11(17)7-10/h5-7,12H,8-9,17H2,1-4H3,(H,18,20)
InChIKeyZSODQINRUTVQJX-UHFFFAOYSA-N
XLogP2.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119515776
N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43599815
N-(3-amino-4-methoxyphenyl)cyclooctanecarboxamide
CID 65023208
N-(3-amino-4-methoxyphenyl)-1-propanoylpiperidine-2-carboxamide;hydrochloride
CID 119418982
tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 96564763
(4S)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
CID 52533355
tert-butyl (4S)-4-[(4-bromophenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564439
N-(3-amino-4-methoxyphenyl)-1-sulfamoylpiperidine-4-carboxamide
CID 119420188
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(3,4-dimethylphenyl)-3-(3-methylbut-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 24715030
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide (CID 119419740) is N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(NC(=O)C2CSCN2C(=O)C(C)(C)C)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZSODQINRUTVQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-16(2,3)15(21)19-9-23-8-12(19)14(20)18-10-5-6-13(22-4)11(17)7-10/h5-7,12H,8-9,17H2,1-4H3,(H,18,20).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119419740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).