N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C24H16F4N4O2S — CID 145112384

IUPACN-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCNc1nc2ccc(Oc3ccc(F)c(NC(=O)Cc4cccc(C(F)(F)F)c4)c3)c(C#N)c2s1
InChIInChI=1S/C24H16F4N4O2S/c1-30-23-32-18-7-8-20(16(12-29)22(18)35-23)34-15-5-6-17(25)19(11-15)31-21(33)10-13-3-2-4-14(9-13)24(26,27)28/h2-9,11H,10H2,1H3,(H,30,32)(H,31,33)
InChIKeyPNZDBMGLXVHTEV-UHFFFAOYSA-N
MW500.48 g/mol
LogP6.34
Rot. Bonds6

About N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 145112384) has the molecular formula C24H16F4N4O2S and a molecular weight of 500.48 g/mol. Its IUPAC name is N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID145112384
Molecular FormulaC24H16F4N4O2S
Molecular Weight500.48 g/mol
Exact Mass500.09
IUPAC NameN-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCNc1nc2ccc(Oc3ccc(F)c(NC(=O)Cc4cccc(C(F)(F)F)c4)c3)c(C#N)c2s1
InChIInChI=1S/C24H16F4N4O2S/c1-30-23-32-18-7-8-20(16(12-29)22(18)35-23)34-15-5-6-17(25)19(11-15)31-21(33)10-13-3-2-4-14(9-13)24(26,27)28/h2-9,11H,10H2,1H3,(H,30,32)(H,31,33)
InChIKeyPNZDBMGLXVHTEV-UHFFFAOYSA-N
XLogP6.34
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 141270586
(1S)-N-[6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 164611128
tert-butyl N-[3-[[5-fluoro-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]carbamoyl]cyclohexyl]carbamate
CID 168877329
N-(2-fluoro-5-nitrophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 18190867
N-[5-[4-fluoro-3-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
CID 46219901
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 11653462
N-[4-chloro-5-[[7-cyano-2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-3-(trifluoromethoxy)benzamide
CID 59454480
N-[4-chloro-5-[[7-cyano-2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-3-(2-methylbut-3-yn-2-yl)benzamide
CID 86644693
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90626295
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8744983
N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680

Frequently Asked Questions

What is the IUPAC name of N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 145112384) is N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CNc1nc2ccc(Oc3ccc(F)c(NC(=O)Cc4cccc(C(F)(F)F)c4)c3)c(C#N)c2s1.
What is the InChIKey of N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PNZDBMGLXVHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O2S/c1-30-23-32-18-7-8-20(16(12-29)22(18)35-23)34-15-5-6-17(25)19(11-15)31-21(33)10-13-3-2-4-14(9-13)24(26,27)28/h2-9,11H,10H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 500.48 g/mol, XLogP of 6.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 145112384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).