N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

C19H15FN2O2S — CID 46823876

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2nc3ccccc3s2)oc2c(F)cccc12
InChIInChI=1S/C19H15FN2O2S/c1-11-12-5-4-6-13(20)18(12)24-17(11)19(23)21-10-9-16-22-14-7-2-3-8-15(14)25-16/h2-8H,9-10H2,1H3,(H,21,23)
InChIKeyLIVLYTXPBOVYLT-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.46
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 46823876) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID46823876
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2nc3ccccc3s2)oc2c(F)cccc12
InChIInChI=1S/C19H15FN2O2S/c1-11-12-5-4-6-13(20)18(12)24-17(11)19(23)21-10-9-16-22-14-7-2-3-8-15(14)25-16/h2-8H,9-10H2,1H3,(H,21,23)
InChIKeyLIVLYTXPBOVYLT-UHFFFAOYSA-N
XLogP4.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
CID 46823937
7-fluoro-N-[2-(1H-indol-3-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8832763
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-methylbenzamide
CID 51207900
7-fluoro-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 9442142
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
7-fluoro-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 17459181
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-tert-butylbenzamide
CID 46823819
5-acetyl-N-[2-(1,3-benzothiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 39996788
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 46823899
7-fluoro-N-(4-hydroxy-2-methylbutyl)-3-methyl-1-benzofuran-2-carboxamide
CID 66106213
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
(2R)-2-amino-N-[2-(1,3-benzothiazol-2-yl)ethyl]propanamide
CID 119272632

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 46823876) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCc2nc3ccccc3s2)oc2c(F)cccc12.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LIVLYTXPBOVYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c1-11-12-5-4-6-13(20)18(12)24-17(11)19(23)21-10-9-16-22-14-7-2-3-8-15(14)25-16/h2-8H,9-10H2,1H3,(H,21,23).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]-7-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46823876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).