N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide

C20H14FN3OS2 — CID 71962490

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H14FN3OS2/c21-14-6-8-17-18(12-14)27-20(23-17)24(13-15-4-1-2-10-22-15)19(25)9-7-16-5-3-11-26-16/h1-12H,13H2
InChIKeyBGAWRZJVVSHHDY-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.14
Rot. Bonds5

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide (PubChem CID 71962490) has the molecular formula C20H14FN3OS2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
PubChem CID71962490
Molecular FormulaC20H14FN3OS2
Molecular Weight395.48 g/mol
Exact Mass395.06
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
SMILESO=C(C=Cc1cccs1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C20H14FN3OS2/c21-14-6-8-17-18(12-14)27-20(23-17)24(13-15-4-1-2-10-22-15)19(25)9-7-16-5-3-11-26-16/h1-12H,13H2
InChIKeyBGAWRZJVVSHHDY-UHFFFAOYSA-N
XLogP5.14
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide 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

(E)-N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 7208043
2,4-difluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986383
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide
CID 71962508
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,5-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 43986434
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 43987137
(E)-N-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-3-thiophen-2-ylprop-2-enamide
CID 41110374
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056036
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 71962500
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 43986876
(E)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 40699752
N-(1,3-benzothiazol-2-yl)-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 18576650
2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 16830219

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide (CID 71962490) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide is O=C(C=Cc1cccs1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is BGAWRZJVVSHHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3OS2/c21-14-6-8-17-18(12-14)27-20(23-17)24(13-15-4-1-2-10-22-15)19(25)9-7-16-5-3-11-26-16/h1-12H,13H2.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 395.48 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 71962490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).