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

C11H10F2N2OS — CID 2151113

IUPACN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2cc(F)cc(F)c2n1C
InChIInChI=1S/C11H10F2N2OS/c1-3-9(16)14-11-15(2)10-7(13)4-6(12)5-8(10)17-11/h4-5H,3H2,1-2H3/b14-11-
InChIKeyBLKFSHZIYCODCI-KAMYIIQDSA-N
MW256.28 g/mol
LogP2.36
Rot. Bonds1

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

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (PubChem CID 2151113) has the molecular formula C11H10F2N2OS and a molecular weight of 256.28 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide.

Molecular Properties

Compound NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
PubChem CID2151113
Molecular FormulaC11H10F2N2OS
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide
SMILESCCC(=O)/N=c1\sc2cc(F)cc(F)c2n1C
InChIInChI=1S/C11H10F2N2OS/c1-3-9(16)14-11-15(2)10-7(13)4-6(12)5-8(10)17-11/h4-5H,3H2,1-2H3/b14-11-
InChIKeyBLKFSHZIYCODCI-KAMYIIQDSA-N
XLogP2.36
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.36
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)propanamide?
The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide (CID 2151113) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide.
What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide is CCC(=O)/N=c1\sc2cc(F)cc(F)c2n1C.
What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
The InChIKey is BLKFSHZIYCODCI-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H10F2N2OS/c1-3-9(16)14-11-15(2)10-7(13)4-6(12)5-8(10)17-11/h4-5H,3H2,1-2H3/b14-11-.
What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide?
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)propanamide has a molecular weight of 256.28 g/mol, XLogP of 2.36, 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)propanamide is sourced from PubChem (CID 2151113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).