2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

C17H13F3N2O2S — CID 77106257

IUPAC2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)cc1
InChIInChI=1S/C17H13F3N2O2S/c1-24-12-5-2-10(3-6-12)8-15(23)22-16-21-13-7-4-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
InChIKeyHNMDQVLCDNBURA-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.50
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 77106257) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID77106257
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)cc1
InChIInChI=1S/C17H13F3N2O2S/c1-24-12-5-2-10(3-6-12)8-15(23)22-16-21-13-7-4-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
InChIKeyHNMDQVLCDNBURA-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide
CID 2155264
KY-02111
CID 8582409
1-(2-Hydroxyethyl)-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea
CID 71655728
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
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (CID 77106257) is 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is COc1ccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is HNMDQVLCDNBURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-24-12-5-2-10(3-6-12)8-15(23)22-16-21-13-7-4-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23).
What are the key properties of 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 366.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 77106257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).