(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one

C23H17N3OS2 — CID 5289945

IUPAC(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one
SMILESCN1/C(=C2/SC(N(c3ccccc3)c3ccccc3)=NC2=O)Sc2ccccc21
InChIInChI=1S/C23H17N3OS2/c1-25-18-14-8-9-15-19(18)28-22(25)20-21(27)24-23(29-20)26(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3/b22-20-
InChIKeyWTLQVBKQPPRBCM-XDOYNYLZSA-N
MW415.54 g/mol
LogP5.87
Rot. Bonds2

About (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one

(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one (PubChem CID 5289945) has the molecular formula C23H17N3OS2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one
PubChem CID5289945
Molecular FormulaC23H17N3OS2
Molecular Weight415.54 g/mol
Exact Mass415.08
IUPAC Name(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one
SMILESCN1/C(=C2/SC(N(c3ccccc3)c3ccccc3)=NC2=O)Sc2ccccc21
InChIInChI=1S/C23H17N3OS2/c1-25-18-14-8-9-15-19(18)28-22(25)20-21(27)24-23(29-20)26(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3/b22-20-
InChIKeyWTLQVBKQPPRBCM-XDOYNYLZSA-N
XLogP5.87
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one?
The IUPAC name of (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one (CID 5289945) is (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one.
What is the SMILES notation for (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one?
The canonical SMILES for (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one is CN1/C(=C2/SC(N(c3ccccc3)c3ccccc3)=NC2=O)Sc2ccccc21.
What is the InChIKey of (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one?
The InChIKey is WTLQVBKQPPRBCM-XDOYNYLZSA-N. The full InChI is InChI=1S/C23H17N3OS2/c1-25-18-14-8-9-15-19(18)28-22(25)20-21(27)24-23(29-20)26(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3/b22-20-.
What are the key properties of (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one?
(5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one has a molecular weight of 415.54 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-(N-phenylanilino)-1,3-thiazol-4-one is sourced from PubChem (CID 5289945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).