N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide

C10H5BrF2N2OS — CID 102848003

IUPACN-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(Br)c(F)cc1F)c1cscn1
InChIInChI=1S/C10H5BrF2N2OS/c11-5-1-8(7(13)2-6(5)12)15-10(16)9-3-17-4-14-9/h1-4H,(H,15,16)
InChIKeyCKZXVUVWCQBSLS-UHFFFAOYSA-N
MW319.13 g/mol
LogP3.44
Rot. Bonds2

About N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide

N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 102848003) has the molecular formula C10H5BrF2N2OS and a molecular weight of 319.13 g/mol. Its IUPAC name is N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID102848003
Molecular FormulaC10H5BrF2N2OS
Molecular Weight319.13 g/mol
Exact Mass317.93
IUPAC NameN-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(Br)c(F)cc1F)c1cscn1
InChIInChI=1S/C10H5BrF2N2OS/c11-5-1-8(7(13)2-6(5)12)15-10(16)9-3-17-4-14-9/h1-4H,(H,15,16)
InChIKeyCKZXVUVWCQBSLS-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
N-(2-amino-4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 63024055
N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 104814470
N-(2-fluoro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62044834
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 63047676
N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103097885
N-(4-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 62045477
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 63038441
5-amino-N-(4-bromo-2,5-difluorophenyl)pyrazine-2-carboxamide
CID 107616540

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 102848003) is N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cc(Br)c(F)cc1F)c1cscn1.
What is the InChIKey of N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CKZXVUVWCQBSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF2N2OS/c11-5-1-8(7(13)2-6(5)12)15-10(16)9-3-17-4-14-9/h1-4H,(H,15,16).
What are the key properties of N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 319.13 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102848003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).