N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide

C17H14ClFN2OS — CID 41149424

IUPACN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
SMILESCCCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(Cl)c21
InChIInChI=1S/C17H14ClFN2OS/c1-2-9-21-15-13(18)7-4-8-14(15)23-17(21)20-16(22)11-5-3-6-12(19)10-11/h3-8,10H,2,9H2,1H3/b20-17-
InChIKeyFYMFPUHEOYEDGE-JZJYNLBNSA-N
MW348.83 g/mol
LogP4.65
Rot. Bonds3

About N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide

N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide (PubChem CID 41149424) has the molecular formula C17H14ClFN2OS and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
PubChem CID41149424
Molecular FormulaC17H14ClFN2OS
Molecular Weight348.83 g/mol
Exact Mass348.05
IUPAC NameN-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide
SMILESCCCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(Cl)c21
InChIInChI=1S/C17H14ClFN2OS/c1-2-9-21-15-13(18)7-4-8-14(15)23-17(21)20-16(22)11-5-3-6-12(19)10-11/h3-8,10H,2,9H2,1H3/b20-17-
InChIKeyFYMFPUHEOYEDGE-JZJYNLBNSA-N
XLogP4.65
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide 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-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzamide
CID 41149499
3,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5222427
N-(4-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 41001326
N-[4-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide
CID 40886520
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 41001431
ethyl 2-[4-chloro-2-(3-chlorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41203652
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide
CID 2105025
N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 3589583
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
N-(4-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 3369020
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
CID 41202322
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-phenoxyacetamide
CID 41001557

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide?
The IUPAC name of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide (CID 41149424) is N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide.
What is the SMILES notation for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide?
The canonical SMILES for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide is CCCn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(Cl)c21.
What is the InChIKey of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide?
The InChIKey is FYMFPUHEOYEDGE-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14ClFN2OS/c1-2-9-21-15-13(18)7-4-8-14(15)23-17(21)20-16(22)11-5-3-6-12(19)10-11/h3-8,10H,2,9H2,1H3/b20-17-.
What are the key properties of N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide?
N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide has a molecular weight of 348.83 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-3-fluorobenzamide is sourced from PubChem (CID 41149424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).