(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one

C24H15NOS — CID 2281220

IUPAC(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H15NOS/c26-23-22(27-24(25-23)16-8-2-1-3-9-16)15-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-15H/b22-15-
InChIKeyMHCUXQRUZHKYGN-JCMHNJIXSA-N
MW365.46 g/mol
LogP6.05
Rot. Bonds2

About (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one

(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one (PubChem CID 2281220) has the molecular formula C24H15NOS and a molecular weight of 365.46 g/mol. Its IUPAC name is (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
PubChem CID2281220
Molecular FormulaC24H15NOS
Molecular Weight365.46 g/mol
Exact Mass365.09
IUPAC Name(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one
SMILESO=C1N=C(c2ccccc2)S/C1=C\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C24H15NOS/c26-23-22(27-24(25-23)16-8-2-1-3-9-16)15-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-15H/b22-15-
InChIKeyMHCUXQRUZHKYGN-JCMHNJIXSA-N
XLogP6.05
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one (CID 2281220) is (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one is O=C1N=C(c2ccccc2)S/C1=C\c1c2ccccc2cc2ccccc12.
What is the InChIKey of (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
The InChIKey is MHCUXQRUZHKYGN-JCMHNJIXSA-N. The full InChI is InChI=1S/C24H15NOS/c26-23-22(27-24(25-23)16-8-2-1-3-9-16)15-21-19-12-6-4-10-17(19)14-18-11-5-7-13-20(18)21/h1-15H/b22-15-.
What are the key properties of (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one?
(5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one has a molecular weight of 365.46 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(anthracen-9-ylmethylidene)-2-phenyl-1,3-thiazol-4-one is sourced from PubChem (CID 2281220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).