(2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid

C14H13N3O2S — CID 6517386

IUPAC(2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CS/C(=C\c2ccc(-n3ccnc3)cc2)N1
InChIInChI=1S/C14H13N3O2S/c18-14(19)12-8-20-13(16-12)7-10-1-3-11(4-2-10)17-6-5-15-9-17/h1-7,9,12,16H,8H2,(H,18,19)/b13-7-
InChIKeyBHTKJYOIXYTTLX-QPEQYQDCSA-N
MW287.34 g/mol
LogP1.96
Rot. Bonds3

About (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid

(2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 6517386) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid
PubChem CID6517386
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name(2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CS/C(=C\c2ccc(-n3ccnc3)cc2)N1
InChIInChI=1S/C14H13N3O2S/c18-14(19)12-8-20-13(16-12)7-10-1-3-11(4-2-10)17-6-5-15-9-17/h1-7,9,12,16H,8H2,(H,18,19)/b13-7-
InChIKeyBHTKJYOIXYTTLX-QPEQYQDCSA-N
XLogP1.96
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid (CID 6517386) is (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CS/C(=C\c2ccc(-n3ccnc3)cc2)N1.
What is the InChIKey of (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BHTKJYOIXYTTLX-QPEQYQDCSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-14(19)12-8-20-13(16-12)7-10-1-3-11(4-2-10)17-6-5-15-9-17/h1-7,9,12,16H,8H2,(H,18,19)/b13-7-.
What are the key properties of (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid?
(2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-imidazol-1-ylphenyl)methylidene]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 6517386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).