N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide

C19H15F3N2O2S — CID 11303911

IUPACN,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1
InChIInChI=1S/C19H15F3N2O2S/c1-24(2)18(25)17-23-15(11-27-17)13-7-5-6-12(10-13)14-8-3-4-9-16(14)26-19(20,21)22/h3-11H,1-2H3
InChIKeyUUUHMVAHMUDADX-UHFFFAOYSA-N
MW392.40 g/mol
LogP5.08
Rot. Bonds4

About N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide

N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 11303911) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide
PubChem CID11303911
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC NameN,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide
SMILESCN(C)C(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1
InChIInChI=1S/C19H15F3N2O2S/c1-24(2)18(25)17-23-15(11-27-17)13-7-5-6-12(10-13)14-8-3-4-9-16(14)26-19(20,21)22/h3-11H,1-2H3
InChIKeyUUUHMVAHMUDADX-UHFFFAOYSA-N
XLogP5.08
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide (CID 11303911) is N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide is CN(C)C(=O)c1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1.
What is the InChIKey of N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is UUUHMVAHMUDADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c1-24(2)18(25)17-23-15(11-27-17)13-7-5-6-12(10-13)14-8-3-4-9-16(14)26-19(20,21)22/h3-11H,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide?
N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 392.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 11303911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).