N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide

C16H12F2N2OS — CID 2104918

IUPACN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2F)sc2cc(F)ccc21
InChIInChI=1S/C16H12F2N2OS/c1-2-20-13-8-7-10(17)9-14(13)22-16(20)19-15(21)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3/b19-16-
InChIKeyJERQSASHLGFCMN-MNDPQUGUSA-N
MW318.35 g/mol
LogP3.74
Rot. Bonds2

About N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide

N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide (PubChem CID 2104918) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
PubChem CID2104918
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC NameN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
SMILESCCn1/c(=N/C(=O)c2ccccc2F)sc2cc(F)ccc21
InChIInChI=1S/C16H12F2N2OS/c1-2-20-13-8-7-10(17)9-14(13)22-16(20)19-15(21)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3/b19-16-
InChIKeyJERQSASHLGFCMN-MNDPQUGUSA-N
XLogP3.74
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12H-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 230754
N-(3-pentyl-1,3-benzothiazol-2-ylidene)naphthalene-1-carboxamide
CID 155557850
N-(3-pentyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide
CID 155569209
N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-nitrobenzamide
CID 2318913
4-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6063895
4-Phenyl-2H-pyrimido(2,1-B)(1,3)benzothiazol-2-one
CID 10084936
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-nitrobenzamide
CID 2151131
(E)-N-(6-fluoro-3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 3414203
12-(4-fluorophenyl)-3,3-dimethyl-4,12-dihydro-2H-[1,3]benzothiazolo[2,3-b]quinazolin-1-one
CID 118726551
N-(3-pentyl-1,3-benzothiazol-2-ylidene)-4-(trifluoromethyl)benzamide
CID 155553908
2-(5,6-Difluoro-2-((3-(trifluoromethyl)benzoyl)imino)benzo[d]thiazol-3(2H)-yl)butanoic acid
CID 71508340
N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzamide
CID 4181953

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The IUPAC name of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide (CID 2104918) is N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide.
What is the SMILES notation for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The canonical SMILES for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide is CCn1/c(=N/C(=O)c2ccccc2F)sc2cc(F)ccc21.
What is the InChIKey of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
The InChIKey is JERQSASHLGFCMN-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c1-2-20-13-8-7-10(17)9-14(13)22-16(20)19-15(21)11-5-3-4-6-12(11)18/h3-9H,2H2,1H3/b19-16-.
What are the key properties of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide?
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide has a molecular weight of 318.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide is sourced from PubChem (CID 2104918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).