(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C10H5BrClNO3S — CID 1379615

IUPAC(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(Cl)cc(Br)c2O)S1
InChIInChI=1S/C10H5BrClNO3S/c11-6-3-5(12)1-4(8(6)14)2-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)/b7-2-
InChIKeyMQHNNWACZDZXIP-UQCOIBPSSA-N
MW334.58 g/mol
LogP3.13
Rot. Bonds1

About (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1379615) has the molecular formula C10H5BrClNO3S and a molecular weight of 334.58 g/mol. Its IUPAC name is (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1379615
Molecular FormulaC10H5BrClNO3S
Molecular Weight334.58 g/mol
Exact Mass332.89
IUPAC Name(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc(Cl)cc(Br)c2O)S1
InChIInChI=1S/C10H5BrClNO3S/c11-6-3-5(12)1-4(8(6)14)2-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)/b7-2-
InChIKeyMQHNNWACZDZXIP-UQCOIBPSSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.58
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_B(16)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(3,5-dichloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6026022
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 137088984
(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-2-(2-chlorophenyl)imino-1,3-thiazolidin-4-one
CID 135411700
5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096058
5-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2844355
5-bromo-3-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-4-methyl-1H-indol-2-one
CID 57099549
5-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 78648250
(5Z)-5-[(2-bromo-5-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 134141271
(5Z)-2-(4-bromophenyl)imino-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135748215
(5E)-2-(4-bromophenyl)imino-5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135765206
(5E)-5-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1269277
(5E)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-3-(cyclohexylmethyl)-1,3-thiazolidine-2,4-dione
CID 126132682

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1379615) is (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc(Cl)cc(Br)c2O)S1.
What is the InChIKey of (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MQHNNWACZDZXIP-UQCOIBPSSA-N. The full InChI is InChI=1S/C10H5BrClNO3S/c11-6-3-5(12)1-4(8(6)14)2-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16)/b7-2-.
What are the key properties of (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 334.58 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-bromo-5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1379615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).