2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

C15H10F2N2OS2 — CID 958973

IUPAC2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3c(F)cccc3F)cc2s1
InChIInChI=1S/C15H10F2N2OS2/c1-21-15-19-11-6-5-8(7-12(11)22-15)18-14(20)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,20)
InChIKeyZCZZNKIIZWQCHK-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.55
Rot. Bonds3

About 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 958973) has the molecular formula C15H10F2N2OS2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID958973
Molecular FormulaC15H10F2N2OS2
Molecular Weight336.39 g/mol
Exact Mass336.02
IUPAC Name2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3c(F)cccc3F)cc2s1
InChIInChI=1S/C15H10F2N2OS2/c1-21-15-19-11-6-5-8(7-12(11)22-15)18-14(20)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,20)
InChIKeyZCZZNKIIZWQCHK-UHFFFAOYSA-N
XLogP4.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzamide, N-2-benzothiazolyl-4-fluoro-
CID 749175
4-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]benzohydrazide
CID 2435403
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 726754
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
Acetamide, N-(4-(2-benzothiazolyl)phenyl)-
CID 233871
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 685913
N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 953496
N-(1,3-Benzothiazol-2-YL)-2-fluorobenzamide
CID 717947
2-(Benzothiazol-2-ylsulfanyl)-1-phenyl-ethanone
CID 264060
2,3,4,5,6-Pentafluoro-N-(2-sulfamoyl-benzothiazol-6-yl)-benzamide
CID 10574278
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
2-[(2-Fluorobenzyl)sulfanyl]-1,3-benzothiazol-6-amine
CID 949960

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide (CID 958973) is 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide is CSc1nc2ccc(NC(=O)c3c(F)cccc3F)cc2s1.
What is the InChIKey of 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is ZCZZNKIIZWQCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS2/c1-21-15-19-11-6-5-8(7-12(11)22-15)18-14(20)13-9(16)3-2-4-10(13)17/h2-7H,1H3,(H,18,20).
What are the key properties of 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 336.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 958973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).