3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide

C19H17N3O3S — CID 55800443

IUPAC3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2CSCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C19H17N3O3S/c20-9-10-25-16-8-4-7-15(11-16)21-18(23)17-12-26-13-22(17)19(24)14-5-2-1-3-6-14/h1-8,11,17H,10,12-13H2,(H,21,23)
InChIKeyZZLQCNRSCFNXEN-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.74
Rot. Bonds5

About 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide

3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55800443) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55800443
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESN#CCOc1cccc(NC(=O)C2CSCN2C(=O)c2ccccc2)c1
InChIInChI=1S/C19H17N3O3S/c20-9-10-25-16-8-4-7-15(11-16)21-18(23)17-12-26-13-22(17)19(24)14-5-2-1-3-6-14/h1-8,11,17H,10,12-13H2,(H,21,23)
InChIKeyZZLQCNRSCFNXEN-UHFFFAOYSA-N
XLogP2.74
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
3-benzoyl-N-[3-(thiophene-2-carbonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55515650
2-[3-[[3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224881
(4S)-3-benzoyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 94096788
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767
3-benzoyl-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55893789
3-benzoyl-N-dibenzofuran-3-yl-1,3-thiazolidine-4-carboxamide
CID 55796095
(4R)-3-benzoyl-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1,3-thiazolidine-4-carboxamide
CID 55984093
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
CID 43708772
N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79776862

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide (CID 55800443) is 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide is N#CCOc1cccc(NC(=O)C2CSCN2C(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZZLQCNRSCFNXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c20-9-10-25-16-8-4-7-15(11-16)21-18(23)17-12-26-13-22(17)19(24)14-5-2-1-3-6-14/h1-8,11,17H,10,12-13H2,(H,21,23).
What are the key properties of 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide?
3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-[3-(cyanomethoxy)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55800443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).