N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide

C17H14BrClN2O2S — CID 3492317

IUPACN-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide
SMILESCCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(Br)ccc21
InChIInChI=1S/C17H14BrClN2O2S/c1-2-21-14-8-3-11(18)9-15(14)24-17(21)20-16(22)10-23-13-6-4-12(19)5-7-13/h3-9H,2,10H2,1H3/b20-17-
InChIKeyHBDWYINCISRCOW-JZJYNLBNSA-N
MW425.74 g/mol
LogP4.64
Rot. Bonds4

About N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide

N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide (PubChem CID 3492317) has the molecular formula C17H14BrClN2O2S and a molecular weight of 425.74 g/mol. Its IUPAC name is N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide
PubChem CID3492317
Molecular FormulaC17H14BrClN2O2S
Molecular Weight425.74 g/mol
Exact Mass423.96
IUPAC NameN-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide
SMILESCCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(Br)ccc21
InChIInChI=1S/C17H14BrClN2O2S/c1-2-21-14-8-3-11(18)9-15(14)24-17(21)20-16(22)10-23-13-6-4-12(19)5-7-13/h3-9H,2,10H2,1H3/b20-17-
InChIKeyHBDWYINCISRCOW-JZJYNLBNSA-N
XLogP4.64
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.74
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide 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

ethyl 2-[2-(4-chlorophenoxy)acetyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylate
CID 4125569
2-(4-chlorophenoxy)-N-(3-ethyl-5,6-dimethoxy-1,3-benzothiazol-2-ylidene)acetamide
CID 40508911
2-(4-chlorophenoxy)-N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)acetamide
CID 7154030
2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43984884
ethyl 2-[2-[2-(4-chlorophenoxy)acetyl]imino-6-ethyl-1,3-benzothiazol-3-yl]acetate
CID 40996729
ethyl 2-[2-[2-(4-chlorophenoxy)acetyl]imino-6-propan-2-yl-1,3-benzothiazol-3-yl]acetate
CID 40997269
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3-phenoxypropanamide
CID 3462020
N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-chlorophenoxy)acetamide
CID 3562327
ethyl 2-[6-chloro-2-(2-phenoxyacetyl)imino-1,3-benzothiazol-3-yl]acetate
CID 3594809
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenoxy)acetamide
CID 43937829
2-(4-chlorophenoxy)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]acetamide
CID 40697668
N,N'-bis(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)decanediamide
CID 4289489

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide (CID 3492317) is N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide is CCn1/c(=N/C(=O)COc2ccc(Cl)cc2)sc2cc(Br)ccc21.
What is the InChIKey of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide?
The InChIKey is HBDWYINCISRCOW-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14BrClN2O2S/c1-2-21-14-8-3-11(18)9-15(14)24-17(21)20-16(22)10-23-13-6-4-12(19)5-7-13/h3-9H,2,10H2,1H3/b20-17-.
What are the key properties of N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide?
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide has a molecular weight of 425.74 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 3492317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).