N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide

C19H12F6N2O2S — CID 10095074

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(O)c(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cs1
InChIInChI=1S/C19H12F6N2O2S/c1-9-26-15(8-30-9)10-2-3-16(28)14(4-10)17(29)27-13-6-11(18(20,21)22)5-12(7-13)19(23,24)25/h2-8,28H,1H3,(H,27,29)
InChIKeyQZVMECSGZDKZKK-UHFFFAOYSA-N
MW446.37 g/mol
LogP6.11
Rot. Bonds3

About N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide (PubChem CID 10095074) has the molecular formula C19H12F6N2O2S and a molecular weight of 446.37 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide
PubChem CID10095074
Molecular FormulaC19H12F6N2O2S
Molecular Weight446.37 g/mol
Exact Mass446.05
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide
SMILESCc1nc(-c2ccc(O)c(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cs1
InChIInChI=1S/C19H12F6N2O2S/c1-9-26-15(8-30-9)10-2-3-16(28)14(4-10)17(29)27-13-6-11(18(20,21)22)5-12(7-13)19(23,24)25/h2-8,28H,1H3,(H,27,29)
InChIKeyQZVMECSGZDKZKK-UHFFFAOYSA-N
XLogP6.11
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.37
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 57124041
N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide
CID 87679807
5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534184
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
(E)-N-[3,5-bis(trifluoromethyl)phenyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 25470231
[3,5-bis(trifluoromethyl)phenyl] 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-hydroxybenzoate
CID 11192744
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
2,4,5-trifluoro-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286618
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide (CID 10095074) is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide is Cc1nc(-c2ccc(O)c(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cs1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide?
The InChIKey is QZVMECSGZDKZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O2S/c1-9-26-15(8-30-9)10-2-3-16(28)14(4-10)17(29)27-13-6-11(18(20,21)22)5-12(7-13)19(23,24)25/h2-8,28H,1H3,(H,27,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide has a molecular weight of 446.37 g/mol, XLogP of 6.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide is sourced from PubChem (CID 10095074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).