N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide

C16H13FN2O2S — CID 867640

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3F)nc12
InChIInChI=1S/C16H13FN2O2S/c1-2-21-12-8-5-9-13-14(12)18-16(22-13)19-15(20)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyKDMNSRFRBGCKEJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.09
Rot. Bonds4

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide (PubChem CID 867640) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
PubChem CID867640
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3F)nc12
InChIInChI=1S/C16H13FN2O2S/c1-2-21-12-8-5-9-13-14(12)18-16(22-13)19-15(20)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyKDMNSRFRBGCKEJ-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7578411
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3344551
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 735318
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 19214384
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-iodobenzamide
CID 7193259

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide (CID 867640) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide is CCOc1cccc2sc(NC(=O)c3ccccc3F)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
The InChIKey is KDMNSRFRBGCKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-2-21-12-8-5-9-13-14(12)18-16(22-13)19-15(20)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide has a molecular weight of 316.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 867640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).