3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C15H10ClFN2OS — CID 2151032

IUPAC3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cccc(F)c21
InChIInChI=1S/C15H10ClFN2OS/c1-19-13-11(17)6-3-7-12(13)21-15(19)18-14(20)9-4-2-5-10(16)8-9/h2-8H,1H3/b18-15-
InChIKeyLHOFZWFPNPDKDC-SDXDJHTJSA-N
MW320.78 g/mol
LogP3.77
Rot. Bonds1

About 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2151032) has the molecular formula C15H10ClFN2OS and a molecular weight of 320.78 g/mol. Its IUPAC name is 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2151032
Molecular FormulaC15H10ClFN2OS
Molecular Weight320.78 g/mol
Exact Mass320.02
IUPAC Name3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cccc(F)c21
InChIInChI=1S/C15H10ClFN2OS/c1-19-13-11(17)6-3-7-12(13)21-15(19)18-14(20)9-4-2-5-10(16)8-9/h2-8H,1H3/b18-15-
InChIKeyLHOFZWFPNPDKDC-SDXDJHTJSA-N
XLogP3.77
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide 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 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2151032) is 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is Cn1/c(=N/C(=O)c2cccc(Cl)c2)sc2cccc(F)c21.
What is the InChIKey of 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is LHOFZWFPNPDKDC-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10ClFN2OS/c1-19-13-11(17)6-3-7-12(13)21-15(19)18-14(20)9-4-2-5-10(16)8-9/h2-8H,1H3/b18-15-.
What are the key properties of 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 320.78 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2151032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).