N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide

C12H14N2O3S — CID 54963556

IUPACN-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(O)c1ccccc1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C12H14N2O3S/c1-7(15)8-4-2-3-5-9(8)13-11(16)10-6-18-12(17)14-10/h2-5,7,10,15H,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyDBCHVDLJWFTEKZ-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.50
Rot. Bonds3

About N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide

N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 54963556) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID54963556
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC(O)c1ccccc1NC(=O)C1CSC(=O)N1
InChIInChI=1S/C12H14N2O3S/c1-7(15)8-4-2-3-5-9(8)13-11(16)10-6-18-12(17)14-10/h2-5,7,10,15H,6H2,1H3,(H,13,16)(H,14,17)
InChIKeyDBCHVDLJWFTEKZ-UHFFFAOYSA-N
XLogP1.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-(1-hydroxyethyl)phenyl]pyrrolidine-2-carboxamide
CID 104901084
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 64896228
2-fluoro-6-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43442838
5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016
(4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 124516286
N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103909809
2-oxo-N-(2-propan-2-ylphenyl)-1,3-oxazolidine-4-carboxamide
CID 110649863
N-[2-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79757811
(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid
CID 61143353
N-(5-amino-2-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43600078
(4S)-N-[(2S)-1-(2-bromophenyl)propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 97087809
N-(4-bromo-2,5-difluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 107612421

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 54963556) is N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide is CC(O)c1ccccc1NC(=O)C1CSC(=O)N1.
What is the InChIKey of N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is DBCHVDLJWFTEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-7(15)8-4-2-3-5-9(8)13-11(16)10-6-18-12(17)14-10/h2-5,7,10,15H,6H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54963556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).