3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

C15H10F2N2OS2 — CID 2332532

IUPAC3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2s1
InChIInChI=1S/C15H10F2N2OS2/c1-21-15-19-12-5-3-9(7-13(12)22-15)18-14(20)8-2-4-10(16)11(17)6-8/h2-7H,1H3,(H,18,20)
InChIKeyQMQABQXIAYHMSX-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.55
Rot. Bonds3

About 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 2332532) has the molecular formula C15H10F2N2OS2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID2332532
Molecular FormulaC15H10F2N2OS2
Molecular Weight336.39 g/mol
Exact Mass336.02
IUPAC Name3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
SMILESCSc1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2s1
InChIInChI=1S/C15H10F2N2OS2/c1-21-15-19-12-5-3-9(7-13(12)22-15)18-14(20)8-2-4-10(16)11(17)6-8/h2-7H,1H3,(H,18,20)
InChIKeyQMQABQXIAYHMSX-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
2-(1,3-Benzothiazol-2-yl)-1-phenylethan-1-one
CID 2435387
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
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 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide (CID 2332532) is 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide is CSc1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2s1.
What is the InChIKey of 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is QMQABQXIAYHMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS2/c1-21-15-19-12-5-3-9(7-13(12)22-15)18-14(20)8-2-4-10(16)11(17)6-8/h2-7H,1H3,(H,18,20).
What are the key properties of 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide?
3,4-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 3,4-difluoro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 2332532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).