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

C17H12ClN5OS — CID 71248318

IUPAC(5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one
SMILESC=c1[nH]c(=O)s/c1=C\c1cnn2ccc(Nc3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H12ClN5OS/c1-10-14(25-17(24)20-10)8-11-9-19-23-7-6-15(22-16(11)23)21-13-4-2-12(18)3-5-13/h2-9H,1H2,(H,20,24)(H,21,22)/b14-8-
InChIKeyFCTRUXWXPRLUNB-ZSOIEALJSA-N
MW369.84 g/mol
LogP2.12
Rot. Bonds3

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

(5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one (PubChem CID 71248318) has the molecular formula C17H12ClN5OS and a molecular weight of 369.84 g/mol. Its IUPAC name is (5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one
PubChem CID71248318
Molecular FormulaC17H12ClN5OS
Molecular Weight369.84 g/mol
Exact Mass369.05
IUPAC Name(5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one
SMILESC=c1[nH]c(=O)s/c1=C\c1cnn2ccc(Nc3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H12ClN5OS/c1-10-14(25-17(24)20-10)8-11-9-19-23-7-6-15(22-16(11)23)21-13-4-2-12(18)3-5-13/h2-9H,1H2,(H,20,24)(H,21,22)/b14-8-
InChIKeyFCTRUXWXPRLUNB-ZSOIEALJSA-N
XLogP2.12
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one (CID 71248318) is (5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-5-[[5-(4-chloroanilino)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(Nc3ccc(Cl)cc3)nc12.
What is the InChIKey of (5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one?
The InChIKey is FCTRUXWXPRLUNB-ZSOIEALJSA-N. The full InChI is InChI=1S/C17H12ClN5OS/c1-10-14(25-17(24)20-10)8-11-9-19-23-7-6-15(22-16(11)23)21-13-4-2-12(18)3-5-13/h2-9H,1H2,(H,20,24)(H,21,22)/b14-8-.
What are the key properties of (5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one?
(5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one has a molecular weight of 369.84 g/mol, XLogP of 2.12, 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-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one is sourced from PubChem (CID 71248318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).