N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide

C18H10F2N2OS — CID 27185560

IUPACN-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(F)ccc1F
InChIInChI=1S/C18H10F2N2OS/c19-11-6-7-14(20)13(9-11)17(23)22-18-21-16-12-4-2-1-3-10(12)5-8-15(16)24-18/h1-9H,(H,21,22,23)
InChIKeyJCZCKYMHRSQDDV-UHFFFAOYSA-N
MW340.35 g/mol
LogP4.98
Rot. Bonds2

About N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide

N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide (PubChem CID 27185560) has the molecular formula C18H10F2N2OS and a molecular weight of 340.35 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
PubChem CID27185560
Molecular FormulaC18H10F2N2OS
Molecular Weight340.35 g/mol
Exact Mass340.05
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(F)ccc1F
InChIInChI=1S/C18H10F2N2OS/c19-11-6-7-14(20)13(9-11)17(23)22-18-21-16-12-4-2-1-3-10(12)5-8-15(16)24-18/h1-9H,(H,21,22,23)
InChIKeyJCZCKYMHRSQDDV-UHFFFAOYSA-N
XLogP4.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
N-benzo[e][1,3]benzothiazol-2-yl-5-chloro-2-nitrobenzamide
CID 4621765
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
CID 5198281
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide
CID 79512495
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
N-benzo[e][1,3]benzothiazol-2-yl-3-methyl-1,2-oxazole-5-carboxamide
CID 16616263
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
N-benzo[e][1,3]benzothiazol-2-yl-5-bromo-3-methylfuran-2-carboxamide
CID 75403675
N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
CID 171976934

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide (CID 27185560) is N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide is O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(F)ccc1F.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide?
The InChIKey is JCZCKYMHRSQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2N2OS/c19-11-6-7-14(20)13(9-11)17(23)22-18-21-16-12-4-2-1-3-10(12)5-8-15(16)24-18/h1-9H,(H,21,22,23).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide?
N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide has a molecular weight of 340.35 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide is sourced from PubChem (CID 27185560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).