(5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

C16H10ClN3O4S — CID 135495773

IUPAC(5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H10ClN3O4S/c17-11-3-1-2-4-12(11)18-16-19-15(22)14(25-16)8-9-7-10(20(23)24)5-6-13(9)21/h1-8,21H,(H,18,19,22)/b14-8-
InChIKeyRLGMJXCKTAMTNH-ZSOIEALJSA-N
MW375.79 g/mol
LogP3.85
Rot. Bonds3

About (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135495773) has the molecular formula C16H10ClN3O4S and a molecular weight of 375.79 g/mol. Its IUPAC name is (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135495773
Molecular FormulaC16H10ClN3O4S
Molecular Weight375.79 g/mol
Exact Mass375.01
IUPAC Name(5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C16H10ClN3O4S/c17-11-3-1-2-4-12(11)18-16-19-15(22)14(25-16)8-9-7-10(20(23)24)5-6-13(9)21/h1-8,21H,(H,18,19,22)/b14-8-
InChIKeyRLGMJXCKTAMTNH-ZSOIEALJSA-N
XLogP3.85
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2z,5z)-2-[(2-Chlorophenyl)imino]-5-(4-Hydroxy-3-Nitrobenzylidene)-1,3-Thiazolidin-4-One
CID 135492573
2-(2-Chloro-phenylimino)-5-(2-hydroxy-3-nitro-benzylidene)-thiazolidin-4-one
CID 135411699
2-(2-Chloro-phenylimino)-5-(2-methoxy-3-nitro-benzylidene)-thiazolidin-4-one
CID 135411696
5-(4-Chlorobenzylidene)-2-[(4-hydroxyphenyl)imino]-1,3-thiazolidin-4-one
CID 135492157
(5Z)-5-[(E)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-2-(3-hydroxyphenyl)imino-1,3-thiazolidin-4-one
CID 136002520
2-(3-Hydroxy-phenylimino)-5-(3-nitro-benzylidene)-thiazolidin-4-one
CID 135464686
(5E)-2-(4-chlorophenyl)imino-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135620546
N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-1-phenylmethanesulfonamide
CID 135632169
N-[5-(2-Hydroxy-5-nitro-benzylidene)-4-oxo-thiazolidin-2-ylidene]-benzenesulfonamide
CID 135464624
2-[(3-chloro-4-methylphenyl)amino]-5-(4-hydroxy-3-nitrobenzylidene)-1,3-thiazol-4(5H)-one
CID 135437363
N-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-1-phenylmethanesulfonamide
CID 136087362
(5E)-2-(2-chloroanilino)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-1,3-thiazol-4-one
CID 135444105

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135495773) is (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is RLGMJXCKTAMTNH-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10ClN3O4S/c17-11-3-1-2-4-12(11)18-16-19-15(22)14(25-16)8-9-7-10(20(23)24)5-6-13(9)21/h1-8,21H,(H,18,19,22)/b14-8-.
What are the key properties of (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 375.79 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-chlorophenyl)imino-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135495773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).