3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

C17H14F2N2OS — CID 43980164

IUPAC3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc2s/c(=N\C(=O)c3ccc(F)c(F)c3)n(C)c2cc1C
InChIInChI=1S/C17H14F2N2OS/c1-9-6-14-15(7-10(9)2)23-17(21(14)3)20-16(22)11-4-5-12(18)13(19)8-11/h4-8H,1-3H3/b20-17-
InChIKeyONJSGPFGNAHNHS-JZJYNLBNSA-N
MW332.38 g/mol
LogP3.88
Rot. Bonds1

About 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide

3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (PubChem CID 43980164) has the molecular formula C17H14F2N2OS and a molecular weight of 332.38 g/mol. Its IUPAC name is 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
PubChem CID43980164
Molecular FormulaC17H14F2N2OS
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
SMILESCc1cc2s/c(=N\C(=O)c3ccc(F)c(F)c3)n(C)c2cc1C
InChIInChI=1S/C17H14F2N2OS/c1-9-6-14-15(7-10(9)2)23-17(21(14)3)20-16(22)11-4-5-12(18)13(19)8-11/h4-8H,1-3H3/b20-17-
InChIKeyONJSGPFGNAHNHS-JZJYNLBNSA-N
XLogP3.88
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 40697613
3,4-diethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43980184
2,5-dichloro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047770
4-ethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40697618
4-benzyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979722
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885597
3,4,5-triethoxy-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047816
N-(6-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40996721
4-[bis(2-methylpropyl)sulfamoyl]-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979716
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 43979731
methyl 2-[2-(4-chlorobenzoyl)imino-5,6-dimethyl-1,3-benzothiazol-3-yl]acetate
CID 41102297
3-chloro-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41047892

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The IUPAC name of 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide (CID 43980164) is 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The canonical SMILES for 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is Cc1cc2s/c(=N\C(=O)c3ccc(F)c(F)c3)n(C)c2cc1C.
What is the InChIKey of 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
The InChIKey is ONJSGPFGNAHNHS-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14F2N2OS/c1-9-6-14-15(7-10(9)2)23-17(21(14)3)20-16(22)11-4-5-12(18)13(19)8-11/h4-8H,1-3H3/b20-17-.
What are the key properties of 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide?
3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide has a molecular weight of 332.38 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(3,5,6-trimethyl-1,3-benzothiazol-2-ylidene)benzamide is sourced from PubChem (CID 43980164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).