2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide

C18H12BrClN2O3S2 — CID 1371403

IUPAC2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESO=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc(Cl)ccc1O
InChIInChI=1S/C18H12BrClN2O3S2/c19-11-3-1-2-10(6-11)7-15-17(25)22(18(26)27-15)9-16(24)21-13-8-12(20)4-5-14(13)23/h1-8,23H,9H2,(H,21,24)/b15-7-
InChIKeyCYSGAQMNVSRJPO-CHHVJCJISA-N
MW483.80 g/mol
LogP4.65
Rot. Bonds4

About 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide

2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide (PubChem CID 1371403) has the molecular formula C18H12BrClN2O3S2 and a molecular weight of 483.80 g/mol. Its IUPAC name is 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
PubChem CID1371403
Molecular FormulaC18H12BrClN2O3S2
Molecular Weight483.80 g/mol
Exact Mass481.92
IUPAC Name2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESO=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc(Cl)ccc1O
InChIInChI=1S/C18H12BrClN2O3S2/c19-11-3-1-2-10(6-11)7-15-17(25)22(18(26)27-15)9-16(24)21-13-8-12(20)4-5-14(13)23/h1-8,23H,9H2,(H,21,24)/b15-7-
InChIKeyCYSGAQMNVSRJPO-CHHVJCJISA-N
XLogP4.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.80
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-2-[(5Z)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 1348847
N-(5-chloro-2-hydroxyphenyl)-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 27425756
N-(5-chloro-2-hydroxyphenyl)-2-[(5Z)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 6201691
N-(5-chloro-2-hydroxyphenyl)-2-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 6531725
3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 6201148
2-[[2-[5-[(3-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]-5-hydroxybenzoic acid
CID 4895115
3-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-chlorophenyl)propanamide
CID 4755735
3-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-chlorophenyl)propanamide
CID 6201151
2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-methylphenyl)acetamide
CID 27425395
N-(5-chloro-2-hydroxyphenyl)-4-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 1346127
2-[5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1371463
3-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 1201123

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide (CID 1371403) is 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide is O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cc(Cl)ccc1O.
What is the InChIKey of 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The InChIKey is CYSGAQMNVSRJPO-CHHVJCJISA-N. The full InChI is InChI=1S/C18H12BrClN2O3S2/c19-11-3-1-2-10(6-11)7-15-17(25)22(18(26)27-15)9-16(24)21-13-8-12(20)4-5-14(13)23/h1-8,23H,9H2,(H,21,24)/b15-7-.
What are the key properties of 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide has a molecular weight of 483.80 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 1371403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).