(5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one

C17H11FN4OS — CID 71248316

IUPAC(5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one
SMILESC=c1[nH]c(=O)s/c1=C\c1cnn2ccc(-c3ccccc3F)nc12
InChIInChI=1S/C17H11FN4OS/c1-10-15(24-17(23)20-10)8-11-9-19-22-7-6-14(21-16(11)22)12-4-2-3-5-13(12)18/h2-9H,1H2,(H,20,23)/b15-8-
InChIKeyMZRYDCIBLOHYAU-NVNXTCNLSA-N
MW338.37 g/mol
LogP1.52
Rot. Bonds2

About (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one

(5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one (PubChem CID 71248316) has the molecular formula C17H11FN4OS and a molecular weight of 338.37 g/mol. Its IUPAC name is (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one
PubChem CID71248316
Molecular FormulaC17H11FN4OS
Molecular Weight338.37 g/mol
Exact Mass338.06
IUPAC Name(5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one
SMILESC=c1[nH]c(=O)s/c1=C\c1cnn2ccc(-c3ccccc3F)nc12
InChIInChI=1S/C17H11FN4OS/c1-10-15(24-17(23)20-10)8-11-9-19-22-7-6-14(21-16(11)22)12-4-2-3-5-13(12)18/h2-9H,1H2,(H,20,23)/b15-8-
InChIKeyMZRYDCIBLOHYAU-NVNXTCNLSA-N
XLogP1.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one (CID 71248316) is (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one is C=c1[nH]c(=O)s/c1=C\c1cnn2ccc(-c3ccccc3F)nc12.
What is the InChIKey of (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one?
The InChIKey is MZRYDCIBLOHYAU-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H11FN4OS/c1-10-15(24-17(23)20-10)8-11-9-19-22-7-6-14(21-16(11)22)12-4-2-3-5-13(12)18/h2-9H,1H2,(H,20,23)/b15-8-.
What are the key properties of (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one?
(5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one has a molecular weight of 338.37 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 71248316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).