2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide

C19H12F2N2OS — CID 4259218

IUPAC2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2c(F)cccc2F)sc2c3ccccc3ccc21
InChIInChI=1S/C19H12F2N2OS/c1-23-15-10-9-11-5-2-3-6-12(11)17(15)25-19(23)22-18(24)16-13(20)7-4-8-14(16)21/h2-10H,1H3/b22-19-
InChIKeyQKCFMDUKIRIHPJ-QOCHGBHMSA-N
MW354.38 g/mol
LogP4.41
Rot. Bonds1

About 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide

2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide (PubChem CID 4259218) has the molecular formula C19H12F2N2OS and a molecular weight of 354.38 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
PubChem CID4259218
Molecular FormulaC19H12F2N2OS
Molecular Weight354.38 g/mol
Exact Mass354.06
IUPAC Name2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2c(F)cccc2F)sc2c3ccccc3ccc21
InChIInChI=1S/C19H12F2N2OS/c1-23-15-10-9-11-5-2-3-6-12(11)17(15)25-19(23)22-18(24)16-13(20)7-4-8-14(16)21/h2-10H,1H3/b22-19-
InChIKeyQKCFMDUKIRIHPJ-QOCHGBHMSA-N
XLogP4.41
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3244694
2,4-dimethyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4111919
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)cyclopropanecarboxamide
CID 4285892
3-ethylsulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 40697545
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 5111081
(E)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 7109194
2,6-dimethoxy-N-[3-(2-methoxyethyl)benzo[g][1,3]benzothiazol-2-ylidene]benzamide
CID 41202013
2-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3262118
4-(benzenesulfonyl)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)butanamide
CID 25406798
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 41057046
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-3-(4-nitrophenyl)prop-2-enamide
CID 4624489

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
The IUPAC name of 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide (CID 4259218) is 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide is Cn1/c(=N/C(=O)c2c(F)cccc2F)sc2c3ccccc3ccc21.
What is the InChIKey of 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
The InChIKey is QKCFMDUKIRIHPJ-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H12F2N2OS/c1-23-15-10-9-11-5-2-3-6-12(11)17(15)25-19(23)22-18(24)16-13(20)7-4-8-14(16)21/h2-10H,1H3/b22-19-.
What are the key properties of 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide?
2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide has a molecular weight of 354.38 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 4259218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).