(5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one

C14H11ClN4OS — CID 135634039

IUPAC(5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
SMILESCn1cc(/C=C2\SC(=O)N\C2=N/c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H11ClN4OS/c1-19-8-9(7-16-19)6-12-13(18-14(20)21-12)17-11-4-2-10(15)3-5-11/h2-8H,1H3,(H,17,18,20)/b12-6-
InChIKeyKVMQYYLNXNEZBF-SDQBBNPISA-N
MW318.79 g/mol
LogP3.60
Rot. Bonds2

About (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one

(5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one (PubChem CID 135634039) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name(5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
PubChem CID135634039
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name(5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one
SMILESCn1cc(/C=C2\SC(=O)N\C2=N/c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H11ClN4OS/c1-19-8-9(7-16-19)6-12-13(18-14(20)21-12)17-11-4-2-10(15)3-5-11/h2-8H,1H3,(H,17,18,20)/b12-6-
InChIKeyKVMQYYLNXNEZBF-SDQBBNPISA-N
XLogP3.60
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one?
The IUPAC name of (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one (CID 135634039) is (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one.
What is the SMILES notation for (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one?
The canonical SMILES for (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one is Cn1cc(/C=C2\SC(=O)N\C2=N/c2ccc(Cl)cc2)cn1.
What is the InChIKey of (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one?
The InChIKey is KVMQYYLNXNEZBF-SDQBBNPISA-N. The full InChI is InChI=1S/C14H11ClN4OS/c1-19-8-9(7-16-19)6-12-13(18-14(20)21-12)17-11-4-2-10(15)3-5-11/h2-8H,1H3,(H,17,18,20)/b12-6-.
What are the key properties of (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one?
(5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one has a molecular weight of 318.79 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-(4-chlorophenyl)imino-5-[(1-methylpyrazol-4-yl)methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135634039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).