(5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one

C10H7ClN2OS — CID 2146936

IUPAC(5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one
SMILESNC1=NC(=O)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(12)13-10(14)15-8/h1-5H,(H2,12,13,14)/b8-5-
InChIKeyPAQCNGASJGYLHA-YVMONPNESA-N
MW238.70 g/mol
LogP2.90
Rot. Bonds1

About (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one

(5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one (PubChem CID 2146936) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one.

Molecular Properties

Compound Name(5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one
PubChem CID2146936
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name(5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one
SMILESNC1=NC(=O)S/C1=C\c1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(12)13-10(14)15-8/h1-5H,(H2,12,13,14)/b8-5-
InChIKeyPAQCNGASJGYLHA-YVMONPNESA-N
XLogP2.90
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one?
The IUPAC name of (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one (CID 2146936) is (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one.
What is the SMILES notation for (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one?
The canonical SMILES for (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one is NC1=NC(=O)S/C1=C\c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one?
The InChIKey is PAQCNGASJGYLHA-YVMONPNESA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(12)13-10(14)15-8/h1-5H,(H2,12,13,14)/b8-5-.
What are the key properties of (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one?
(5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one has a molecular weight of 238.70 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-amino-5-[(4-chlorophenyl)methylidene]-1,3-thiazol-2-one is sourced from PubChem (CID 2146936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).