N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide

C16H13FN2O2S — CID 2641094

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H13FN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyVYWBPDVFCVAPFK-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.63
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide (PubChem CID 2641094) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
PubChem CID2641094
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H13FN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyVYWBPDVFCVAPFK-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Frentizole
CID 33334
N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
KY-02111
CID 8582409
N-[6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 138393290
US10251893, Cpd 6
CID 46926811
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 3254649
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide (CID 2641094) is N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
The InChIKey is VYWBPDVFCVAPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-21-13-5-3-2-4-10(13)8-15(20)19-16-18-12-7-6-11(17)9-14(12)22-16/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 2641094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).