(5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

C17H13ClN2O2S — CID 73347286

IUPAC(5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C17H13ClN2O2S/c18-13-6-4-11(5-7-13)10-20-16(21)15(23-17(20)22)9-12-2-1-3-14(19)8-12/h1-9H,10,19H2/b15-9-
InChIKeyDQVMCKAWDPWSMS-DHDCSXOGSA-N
MW344.82 g/mol
LogP4.16
Rot. Bonds3

About (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 73347286) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID73347286
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name(5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESNc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1
InChIInChI=1S/C17H13ClN2O2S/c18-13-6-4-11(5-7-13)10-20-16(21)15(23-17(20)22)9-12-2-1-3-14(19)8-12/h1-9H,10,19H2/b15-9-
InChIKeyDQVMCKAWDPWSMS-DHDCSXOGSA-N
XLogP4.16
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

CID 2910124
CID 2910124
CID 1308950
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CID 1583408
CID 1583408
CID 16631912
CID 16631912
CID 16631984
CID 16631984
CID 18808412
CID 18808412
CID 49897232
CID 49897232
CID 72196756
CID 72196756
CID 2065549
CID 2065549
CID 2151852
CID 2151852
CID 18808457
CID 18808457
CID 70694972
CID 70694972

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 73347286) is (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is Nc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1.
What is the InChIKey of (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is DQVMCKAWDPWSMS-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-13-6-4-11(5-7-13)10-20-16(21)15(23-17(20)22)9-12-2-1-3-14(19)8-12/h1-9H,10,19H2/b15-9-.
What are the key properties of (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 344.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-aminophenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 73347286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).