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

C15H10BrFN2OS — CID 4181953

IUPACN-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
SMILESCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(Br)ccc21
InChIInChI=1S/C15H10BrFN2OS/c1-19-12-7-4-10(16)8-13(12)21-15(19)18-14(20)9-2-5-11(17)6-3-9/h2-8H,1H3/b18-15-
InChIKeyHECJELNMKRHPMI-SDXDJHTJSA-N
MW365.23 g/mol
LogP3.88
Rot. Bonds1

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

N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (PubChem CID 4181953) has the molecular formula C15H10BrFN2OS and a molecular weight of 365.23 g/mol. Its IUPAC name is N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
PubChem CID4181953
Molecular FormulaC15H10BrFN2OS
Molecular Weight365.23 g/mol
Exact Mass363.97
IUPAC NameN-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
SMILESCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(Br)ccc21
InChIInChI=1S/C15H10BrFN2OS/c1-19-12-7-4-10(16)8-13(12)21-15(19)18-14(20)9-2-5-11(17)6-3-9/h2-8H,1H3/b18-15-
InChIKeyHECJELNMKRHPMI-SDXDJHTJSA-N
XLogP3.88
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The IUPAC name of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide (CID 4181953) is N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide.
What is the SMILES notation for N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The canonical SMILES for N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is Cn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(Br)ccc21.
What is the InChIKey of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
The InChIKey is HECJELNMKRHPMI-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10BrFN2OS/c1-19-12-7-4-10(16)8-13(12)21-15(19)18-14(20)9-2-5-11(17)6-3-9/h2-8H,1H3/b18-15-.
What are the key properties of N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide?
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide has a molecular weight of 365.23 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide is sourced from PubChem (CID 4181953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).