N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

C11H6BrClF2N2O2S — CID 63048538

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1cscn1
InChIInChI=1S/C11H6BrClF2N2O2S/c12-6-1-5(13)2-7(9(6)19-11(14)15)17-10(18)8-3-20-4-16-8/h1-4,11H,(H,17,18)
InChIKeyMCUZQSSYCDJYLX-UHFFFAOYSA-N
MW383.60 g/mol
LogP4.41
Rot. Bonds4

About N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 63048538) has the molecular formula C11H6BrClF2N2O2S and a molecular weight of 383.60 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID63048538
Molecular FormulaC11H6BrClF2N2O2S
Molecular Weight383.60 g/mol
Exact Mass381.90
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1cscn1
InChIInChI=1S/C11H6BrClF2N2O2S/c12-6-1-5(13)2-7(9(6)19-11(14)15)17-10(18)8-3-20-4-16-8/h1-4,11H,(H,17,18)
InChIKeyMCUZQSSYCDJYLX-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-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

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 63048538) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1cscn1.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MCUZQSSYCDJYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClF2N2O2S/c12-6-1-5(13)2-7(9(6)19-11(14)15)17-10(18)8-3-20-4-16-8/h1-4,11H,(H,17,18).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 383.60 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63048538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).