(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C16H10FN5OS2 — CID 1239801

IUPAC(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cn[nH]c2-c2ccc(F)cc2)C(=O)N1c1nccs1
InChIInChI=1S/C16H10FN5OS2/c17-11-3-1-9(2-4-11)13-10(8-20-21-13)7-12-14(23)22(15(18)25-12)16-19-5-6-24-16/h1-8,18H,(H,20,21)/b12-7-,18-15-
InChIKeySMJGLNVGTJLIRV-WRFIWQJHSA-N
MW371.42 g/mol
LogP3.73
Rot. Bonds3

About (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 1239801) has the molecular formula C16H10FN5OS2 and a molecular weight of 371.42 g/mol. Its IUPAC name is (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID1239801
Molecular FormulaC16H10FN5OS2
Molecular Weight371.42 g/mol
Exact Mass371.03
IUPAC Name(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2cn[nH]c2-c2ccc(F)cc2)C(=O)N1c1nccs1
InChIInChI=1S/C16H10FN5OS2/c17-11-3-1-9(2-4-11)13-10(8-20-21-13)7-12-14(23)22(15(18)25-12)16-19-5-6-24-16/h1-8,18H,(H,20,21)/b12-7-,18-15-
InChIKeySMJGLNVGTJLIRV-WRFIWQJHSA-N
XLogP3.73
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.73
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'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 1239801) is (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2cn[nH]c2-c2ccc(F)cc2)C(=O)N1c1nccs1.
What is the InChIKey of (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is SMJGLNVGTJLIRV-WRFIWQJHSA-N. The full InChI is InChI=1S/C16H10FN5OS2/c17-11-3-1-9(2-4-11)13-10(8-20-21-13)7-12-14(23)22(15(18)25-12)16-19-5-6-24-16/h1-8,18H,(H,20,21)/b12-7-,18-15-.
What are the key properties of (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 371.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1239801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).