N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide

C17H14ClFN2OS — CID 40885354

IUPACN-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2F)sc2cc(Cl)cc(C)c21
InChIInChI=1S/C17H14ClFN2OS/c1-3-21-15-10(2)8-11(18)9-14(15)23-17(21)20-16(22)12-6-4-5-7-13(12)19/h4-9H,3H2,1-2H3/b20-17-
InChIKeyJDOPMLZBZFTOET-JZJYNLBNSA-N
MW348.83 g/mol
LogP4.56
Rot. Bonds2

About N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide

N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide (PubChem CID 40885354) has the molecular formula C17H14ClFN2OS and a molecular weight of 348.83 g/mol. Its IUPAC name is N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
PubChem CID40885354
Molecular FormulaC17H14ClFN2OS
Molecular Weight348.83 g/mol
Exact Mass348.05
IUPAC NameN-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2F)sc2cc(Cl)cc(C)c21
InChIInChI=1S/C17H14ClFN2OS/c1-3-21-15-10(2)8-11(18)9-14(15)23-17(21)20-16(22)12-6-4-5-7-13(12)19/h4-9H,3H2,1-2H3/b20-17-
InChIKeyJDOPMLZBZFTOET-JZJYNLBNSA-N
XLogP4.56
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-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-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide
CID 40885342
ethyl 2-[4,6-dichloro-2-(2-fluorobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 41204287
N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-oxochromene-3-carboxamide
CID 40885271
3-chloro-N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide
CID 3563539
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 40885347
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
N-[6-chloro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-fluorobenzamide
CID 3433690
2-chloro-N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885103
2,5-dichloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4189411
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-fluorobenzamide
CID 7154142
N-(3-ethyl-5-nitro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 16850885
N-(6-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methoxybenzamide
CID 3453349

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The IUPAC name of N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide (CID 40885354) is N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide.
What is the SMILES notation for N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The canonical SMILES for N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide is CCn1/c(=N/C(=O)c2ccccc2F)sc2cc(Cl)cc(C)c21.
What is the InChIKey of N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The InChIKey is JDOPMLZBZFTOET-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14ClFN2OS/c1-3-21-15-10(2)8-11(18)9-14(15)23-17(21)20-16(22)12-6-4-5-7-13(12)19/h4-9H,3H2,1-2H3/b20-17-.
What are the key properties of N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide has a molecular weight of 348.83 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-ethyl-4-methyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide is sourced from PubChem (CID 40885354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).