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

C13H14F2N2OS — CID 2151120

IUPACN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide
SMILESCCCCC(=O)/N=c1\sc2cc(F)cc(F)c2n1C
InChIInChI=1S/C13H14F2N2OS/c1-3-4-5-11(18)16-13-17(2)12-9(15)6-8(14)7-10(12)19-13/h6-7H,3-5H2,1-2H3/b16-13-
InChIKeyYJHAZMMURNQUPI-SSZFMOIBSA-N
MW284.33 g/mol
LogP3.14
Rot. Bonds3

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

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide (PubChem CID 2151120) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide.

Molecular Properties

Compound NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide
PubChem CID2151120
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide
SMILESCCCCC(=O)/N=c1\sc2cc(F)cc(F)c2n1C
InChIInChI=1S/C13H14F2N2OS/c1-3-4-5-11(18)16-13-17(2)12-9(15)6-8(14)7-10(12)19-13/h6-7H,3-5H2,1-2H3/b16-13-
InChIKeyYJHAZMMURNQUPI-SSZFMOIBSA-N
XLogP3.14
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.14
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)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2151150
N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide
CID 5096233
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2151023
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)thiophene-2-carboxamide
CID 5083424
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885678
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-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanylbutanamide
CID 25406071
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 5083433
4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]butanamide
CID 25406920
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-4-nitrobenzamide
CID 2151033

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide?
The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide (CID 2151120) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide.
What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide?
The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide is CCCCC(=O)/N=c1\sc2cc(F)cc(F)c2n1C.
What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide?
The InChIKey is YJHAZMMURNQUPI-SSZFMOIBSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-3-4-5-11(18)16-13-17(2)12-9(15)6-8(14)7-10(12)19-13/h6-7H,3-5H2,1-2H3/b16-13-.
What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide?
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)pentanamide has a molecular weight of 284.33 g/mol, XLogP of 3.14, 3 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)pentanamide is sourced from PubChem (CID 2151120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).