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

C10H6BrFN2OS — CID 75425983

IUPACN-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1cscn1
InChIInChI=1S/C10H6BrFN2OS/c11-7-2-1-6(12)3-8(7)14-10(15)9-4-16-5-13-9/h1-5H,(H,14,15)
InChIKeyQUYLTTSTMHDPNC-UHFFFAOYSA-N
MW301.14 g/mol
LogP3.30
Rot. Bonds2

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

N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 75425983) has the molecular formula C10H6BrFN2OS and a molecular weight of 301.14 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID75425983
Molecular FormulaC10H6BrFN2OS
Molecular Weight301.14 g/mol
Exact Mass299.94
IUPAC NameN-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)c1cscn1
InChIInChI=1S/C10H6BrFN2OS/c11-7-2-1-6(12)3-8(7)14-10(15)9-4-16-5-13-9/h1-5H,(H,14,15)
InChIKeyQUYLTTSTMHDPNC-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-fluoro-2-(1,3-thiazole-4-carbonylamino)benzoate
CID 63047498
N-(5-bromo-2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 102848003
N-(2-bromo-5-fluorophenyl)-4-chloropyridine-2-carboxamide
CID 103753577
N-[4-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 82685689
5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
CID 107624285
N-(5-amino-2-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 104814470
N-(2-bromo-5-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 103860189
N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
N-(2,6-difluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103097885
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
N-(2-bromo-5-fluorophenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113255459
N-(2,5-difluoro-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 103586232

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 75425983) is N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1cc(F)ccc1Br)c1cscn1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QUYLTTSTMHDPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2OS/c11-7-2-1-6(12)3-8(7)14-10(15)9-4-16-5-13-9/h1-5H,(H,14,15).
What are the key properties of N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75425983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).