N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide

C19H19FN2O2S — CID 71854477

IUPACN-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCc2nc3cc(F)ccc3s2)ccc1C
InChIInChI=1S/C19H19FN2O2S/c1-12-3-4-13(9-16(12)24-2)10-18(23)21-8-7-19-22-15-11-14(20)5-6-17(15)25-19/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,23)
InChIKeyLPQMSKQTIVLTLO-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.65
Rot. Bonds6

About N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide

N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide (PubChem CID 71854477) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
PubChem CID71854477
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCc2nc3cc(F)ccc3s2)ccc1C
InChIInChI=1S/C19H19FN2O2S/c1-12-3-4-13(9-16(12)24-2)10-18(23)21-8-7-19-22-15-11-14(20)5-6-17(15)25-19/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,23)
InChIKeyLPQMSKQTIVLTLO-UHFFFAOYSA-N
XLogP3.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 17417504
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789806
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(3-methoxyphenyl)acetamide
CID 46426483
2-[2-fluoro-4-[(5-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 155548442
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356856
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-amino-N-[2-(3-methoxy-4-methylphenyl)ethyl]acetamide
CID 119326320
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The IUPAC name of N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide (CID 71854477) is N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The canonical SMILES for N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide is COc1cc(CC(=O)NCCc2nc3cc(F)ccc3s2)ccc1C.
What is the InChIKey of N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
The InChIKey is LPQMSKQTIVLTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-12-3-4-13(9-16(12)24-2)10-18(23)21-8-7-19-22-15-11-14(20)5-6-17(15)25-19/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide?
N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide is sourced from PubChem (CID 71854477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).