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

C15H11FN2OS — CID 741411

IUPAC4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccc(F)cc2)sc2ccccc21
InChIInChI=1S/C15H11FN2OS/c1-18-12-4-2-3-5-13(12)20-15(18)17-14(19)10-6-8-11(16)9-7-10/h2-9H,1H3/b17-15-
InChIKeyDTNCYXVXDIZEFE-ICFOKQHNSA-N
MW286.33 g/mol
LogP3.12
Rot. Bonds1

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

4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 741411) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID741411
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccc(F)cc2)sc2ccccc21
InChIInChI=1S/C15H11FN2OS/c1-18-12-4-2-3-5-13(12)20-15(18)17-14(19)10-6-8-11(16)9-7-10/h2-9H,1H3/b17-15-
InChIKeyDTNCYXVXDIZEFE-ICFOKQHNSA-N
XLogP3.12
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 741411) is 4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide is Cn1/c(=N/C(=O)c2ccc(F)cc2)sc2ccccc21.
What is the InChIKey of 4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is DTNCYXVXDIZEFE-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H11FN2OS/c1-18-12-4-2-3-5-13(12)20-15(18)17-14(19)10-6-8-11(16)9-7-10/h2-9H,1H3/b17-15-.
What are the key properties of 4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 286.33 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 741411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).