N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

C17H14BrN3O3S — CID 135468917

IUPACN-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O3S/c18-10-4-6-11(7-5-10)19-15(23)9-14-16(24)21-17(25-14)20-12-2-1-3-13(22)8-12/h1-8,14,22H,9H2,(H,19,23)(H,20,21,24)
InChIKeyZLMFHDUNIKBPEO-UHFFFAOYSA-N
MW420.29 g/mol
LogP3.40
Rot. Bonds4

About N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135468917) has the molecular formula C17H14BrN3O3S and a molecular weight of 420.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
PubChem CID135468917
Molecular FormulaC17H14BrN3O3S
Molecular Weight420.29 g/mol
Exact Mass418.99
IUPAC NameN-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O3S/c18-10-4-6-11(7-5-10)19-15(23)9-14-16(24)21-17(25-14)20-12-2-1-3-13(22)8-12/h1-8,14,22H,9H2,(H,19,23)(H,20,21,24)
InChIKeyZLMFHDUNIKBPEO-UHFFFAOYSA-N
XLogP3.40
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methylphenyl)acetamide
CID 135858256
N-(4-bromophenyl)-2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135915552
N-(4-bromophenyl)-2-[(5R)-2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135689420
2-[(5R)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 135843620
2-[(5S)-2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetate
CID 135843621
N-(4-chlorophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135462150
N-(4-fluorophenyl)-2-[(5S)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
CID 135665667
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135487927
4-[[2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 135703936
2-[2-(3-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135464066
2-[(5R)-4-oxo-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135665664
N-(3-methylphenyl)-2-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 171982363

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 135468917) is N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is ZLMFHDUNIKBPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3S/c18-10-4-6-11(7-5-10)19-15(23)9-14-16(24)21-17(25-14)20-12-2-1-3-13(22)8-12/h1-8,14,22H,9H2,(H,19,23)(H,20,21,24).
What are the key properties of N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide?
N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 420.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(3-hydroxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135468917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).