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

C12H12F2N2OS — CID 2151116

IUPACN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
SMILESCC(C)C(=O)/N=c1\sc2cc(F)cc(F)c2n1C
InChIInChI=1S/C12H12F2N2OS/c1-6(2)11(17)15-12-16(3)10-8(14)4-7(13)5-9(10)18-12/h4-6H,1-3H3/b15-12-
InChIKeySRLNLLHQPQTVEB-QINSGFPZSA-N
MW270.30 g/mol
LogP2.60
Rot. Bonds1

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

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide (PubChem CID 2151116) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
PubChem CID2151116
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide
SMILESCC(C)C(=O)/N=c1\sc2cc(F)cc(F)c2n1C
InChIInChI=1S/C12H12F2N2OS/c1-6(2)11(17)15-12-16(3)10-8(14)4-7(13)5-9(10)18-12/h4-6H,1-3H3/b15-12-
InChIKeySRLNLLHQPQTVEB-QINSGFPZSA-N
XLogP2.60
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide (CID 2151116) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide.
What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide is CC(C)C(=O)/N=c1\sc2cc(F)cc(F)c2n1C.
What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
The InChIKey is SRLNLLHQPQTVEB-QINSGFPZSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-6(2)11(17)15-12-16(3)10-8(14)4-7(13)5-9(10)18-12/h4-6H,1-3H3/b15-12-.
What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide?
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-methylpropanamide has a molecular weight of 270.30 g/mol, XLogP of 2.60, 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-methylpropanamide is sourced from PubChem (CID 2151116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).