N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide

C26H18FN3OS — CID 3342650

IUPACN-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2cccc(F)c21
InChIInChI=1S/C26H18FN3OS/c1-2-15-30-24-20(27)12-8-14-23(24)32-26(30)29-25(31)19-16-22(17-9-4-3-5-10-17)28-21-13-7-6-11-18(19)21/h2-14,16H,1,15H2/b29-26-
InChIKeyZMMUMBUKODCQAZ-WCTVFOPTSA-N
MW439.52 g/mol
LogP5.98
Rot. Bonds4

About N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide

N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide (PubChem CID 3342650) has the molecular formula C26H18FN3OS and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide
PubChem CID3342650
Molecular FormulaC26H18FN3OS
Molecular Weight439.52 g/mol
Exact Mass439.12
IUPAC NameN-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide
SMILESC=CCn1/c(=N/C(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2cccc(F)c21
InChIInChI=1S/C26H18FN3OS/c1-2-15-30-24-20(27)12-8-14-23(24)32-26(30)29-25(31)19-16-22(17-9-4-3-5-10-17)28-21-13-7-6-11-18(19)21/h2-14,16H,1,15H2/b29-26-
InChIKeyZMMUMBUKODCQAZ-WCTVFOPTSA-N
XLogP5.98
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide
CID 43944030
N-(4,6-dimethyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide
CID 43944033
2-phenyl-N-(7-prop-2-enyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)quinoline-4-carboxamide
CID 43978664
N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide
CID 5055210
N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)quinoxaline-2-carboxamide
CID 43943489
N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 4125840
2-(2-fluorophenoxy)-N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43943015
methyl 2-[6-fluoro-2-(2-phenylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 5222238
N-(6-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3284692
N-(6-methylsulfonyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4189450
N-(4-methyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 43943680
N-(4-methoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole-2-carboxamide
CID 2151210

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide (CID 3342650) is N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide is C=CCn1/c(=N/C(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2cccc(F)c21.
What is the InChIKey of N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide?
The InChIKey is ZMMUMBUKODCQAZ-WCTVFOPTSA-N. The full InChI is InChI=1S/C26H18FN3OS/c1-2-15-30-24-20(27)12-8-14-23(24)32-26(30)29-25(31)19-16-22(17-9-4-3-5-10-17)28-21-13-7-6-11-18(19)21/h2-14,16H,1,15H2/b29-26-.
What are the key properties of N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide?
N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3342650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).