N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide

C17H14F2N2OS — CID 40885678

IUPACN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)/N=c2\sc3cc(F)cc(F)c3n2C)c1
InChIInChI=1S/C17H14F2N2OS/c1-9-4-5-10(2)12(6-9)16(22)20-17-21(3)15-13(19)7-11(18)8-14(15)23-17/h4-8H,1-3H3/b20-17-
InChIKeyZPDYNUXTAOUNNN-JZJYNLBNSA-N
MW332.38 g/mol
LogP3.88
Rot. Bonds1

About N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide (PubChem CID 40885678) has the molecular formula C17H14F2N2OS and a molecular weight of 332.38 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
PubChem CID40885678
Molecular FormulaC17H14F2N2OS
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)/N=c2\sc3cc(F)cc(F)c3n2C)c1
InChIInChI=1S/C17H14F2N2OS/c1-9-4-5-10(2)12(6-9)16(22)20-17-21(3)15-13(19)7-11(18)8-14(15)23-17/h4-8H,1-3H3/b20-17-
InChIKeyZPDYNUXTAOUNNN-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

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,4-dimethylbenzamide
CID 40885597
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151023
2,5-dimethyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40885528
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)-4-nitrobenzamide
CID 2151033
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-3,5-dinitrobenzamide
CID 7152717
(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)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 2159195
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 5083433
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide
CID 2151120
2-fluoro-N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151133

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide?
The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide (CID 40885678) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide?
The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)/N=c2\sc3cc(F)cc(F)c3n2C)c1.
What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide?
The InChIKey is ZPDYNUXTAOUNNN-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H14F2N2OS/c1-9-4-5-10(2)12(6-9)16(22)20-17-21(3)15-13(19)7-11(18)8-14(15)23-17/h4-8H,1-3H3/b20-17-.
What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide?
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide 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 N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide is sourced from PubChem (CID 40885678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).