N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide

C13H12F2N2O2S — CID 63048536

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1cscn1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8(17-12(18)11-6-20-7-16-11)9-3-2-4-10(5-9)19-13(14)15/h2-8,13H,1H3,(H,17,18)
InChIKeyIHPHFNDVMNBTKT-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.24
Rot. Bonds5

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 63048536) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID63048536
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1cscn1)c1cccc(OC(F)F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8(17-12(18)11-6-20-7-16-11)9-3-2-4-10(5-9)19-13(14)15/h2-8,13H,1H3,(H,17,18)
InChIKeyIHPHFNDVMNBTKT-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 62789080
2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120621971
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
CID 42961734
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenyltriazole-4-carboxamide
CID 46469924
methyl 2-methyl-4-[1-(1,3-thiazole-4-carbonylamino)ethyl]benzoate
CID 171791978
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
CID 42961731
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144
N-[1-[3-(difluoromethoxy)phenyl]ethyl]quinoline-6-carboxamide
CID 154858888
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047659
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602
4-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56563120
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55776871

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 63048536) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1cscn1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IHPHFNDVMNBTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-8(17-12(18)11-6-20-7-16-11)9-3-2-4-10(5-9)19-13(14)15/h2-8,13H,1H3,(H,17,18).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).