N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

C15H10F2N2OS — CID 2151023

IUPACN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccccc2)sc2cc(F)cc(F)c21
InChIInChI=1S/C15H10F2N2OS/c1-19-13-11(17)7-10(16)8-12(13)21-15(19)18-14(20)9-5-3-2-4-6-9/h2-8H,1H3/b18-15-
InChIKeyYRWRFWANIMIEIH-SDXDJHTJSA-N
MW304.32 g/mol
LogP3.26
Rot. Bonds1

About N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 2151023) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID2151023
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCn1/c(=N/C(=O)c2ccccc2)sc2cc(F)cc(F)c21
InChIInChI=1S/C15H10F2N2OS/c1-19-13-11(17)7-10(16)8-12(13)21-15(19)18-14(20)9-5-3-2-4-6-9/h2-8H,1H3/b18-15-
InChIKeyYRWRFWANIMIEIH-SDXDJHTJSA-N
XLogP3.26
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885597
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 2151033
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 5083424
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 7152717
4-[benzyl(ethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3491430
(Z)-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3-phenylprop-2-enamide
CID 40885580
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885678
4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3359754
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-phenoxybenzamide
CID 40885648
4-[bis(2-cyanoethyl)sulfamoyl]-N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5087246
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4051036

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide (CID 2151023) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is Cn1/c(=N/C(=O)c2ccccc2)sc2cc(F)cc(F)c21.
What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is YRWRFWANIMIEIH-SDXDJHTJSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c1-19-13-11(17)7-10(16)8-12(13)21-15(19)18-14(20)9-5-3-2-4-6-9/h2-8H,1H3/b18-15-.
What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide?
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 304.32 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 2151023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).