(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione

C12H8N4O2S — CID 57489701

IUPAC(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cnn(-c3ccccc3)n2)S1
InChIInChI=1S/C12H8N4O2S/c17-11-10(19-12(18)14-11)6-8-7-13-16(15-8)9-4-2-1-3-5-9/h1-7H,(H,14,17,18)/b10-6-
InChIKeyDHPCXXPPAJOXRS-POHAHGRESA-N
MW272.29 g/mol
LogP1.59
Rot. Bonds2

About (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 57489701) has the molecular formula C12H8N4O2S and a molecular weight of 272.29 g/mol. Its IUPAC name is (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID57489701
Molecular FormulaC12H8N4O2S
Molecular Weight272.29 g/mol
Exact Mass272.04
IUPAC Name(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cnn(-c3ccccc3)n2)S1
InChIInChI=1S/C12H8N4O2S/c17-11-10(19-12(18)14-11)6-8-7-13-16(15-8)9-4-2-1-3-5-9/h1-7H,(H,14,17,18)/b10-6-
InChIKeyDHPCXXPPAJOXRS-POHAHGRESA-N
XLogP1.59
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 173098079
(5Z)-5-[[1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87520341
(5Z)-5-[[3-(2-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87519950
5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 4315391
(5E)-5-[[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118339267
(5Z)-5-[[6-morpholin-4-yl-2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118339504
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
(5E)-5-[(2-iodophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2243788
5-[[6-(bromomethyl)-2-pyridinyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 123767223
(5E)-5-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87310791
5-[(2-methyl-1,5-diphenylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2898053
(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 150006835

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 57489701) is (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cnn(-c3ccccc3)n2)S1.
What is the InChIKey of (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DHPCXXPPAJOXRS-POHAHGRESA-N. The full InChI is InChI=1S/C12H8N4O2S/c17-11-10(19-12(18)14-11)6-8-7-13-16(15-8)9-4-2-1-3-5-9/h1-7H,(H,14,17,18)/b10-6-.
What are the key properties of (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 272.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-phenyltriazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 57489701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).