N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C10H8Cl2N2O3S — CID 82885183

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CS1
InChIInChI=1S/C10H8Cl2N2O3S/c11-5-1-4(2-6(12)8(5)15)13-9(16)7-3-18-10(17)14-7/h1-2,7,15H,3H2,(H,13,16)(H,14,17)
InChIKeyICVCJYHDTUFWCD-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.46
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 82885183) has the molecular formula C10H8Cl2N2O3S and a molecular weight of 307.16 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID82885183
Molecular FormulaC10H8Cl2N2O3S
Molecular Weight307.16 g/mol
Exact Mass305.96
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CS1
InChIInChI=1S/C10H8Cl2N2O3S/c11-5-1-4(2-6(12)8(5)15)13-9(16)7-3-18-10(17)14-7/h1-2,7,15H,3H2,(H,13,16)(H,14,17)
InChIKeyICVCJYHDTUFWCD-UHFFFAOYSA-N
XLogP2.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 61398506
4-chloro-3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 43096493
N-(3,5-dichloro-4-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 107680422
N-(4-bromo-3-fluorophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65429945
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 63334680
N-(3-ethynylphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864784
2-[3-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]acetic acid
CID 65346582
2-oxo-N-(3-sulfamoylphenyl)-1,3-thiazolidine-4-carboxamide
CID 61131241
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 62915775
N-(3-amino-4-methoxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 43599815
2-oxo-N-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-thiazolidine-4-carboxamide
CID 63283396
2-methyl-2-[4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]phenyl]propanoic acid
CID 80549468

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 82885183) is N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CS1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is ICVCJYHDTUFWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O3S/c11-5-1-4(2-6(12)8(5)15)13-9(16)7-3-18-10(17)14-7/h1-2,7,15H,3H2,(H,13,16)(H,14,17).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 307.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 82885183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).