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

C11H8BrFN2OS — CID 103753515

IUPACN-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)ccc2Br)s1
InChIInChI=1S/C11H8BrFN2OS/c1-6-14-5-10(17-6)11(16)15-9-4-7(13)2-3-8(9)12/h2-5H,1H3,(H,15,16)
InChIKeyCKLRQZSNCIUARP-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.61
Rot. Bonds2

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

N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 103753515) has the molecular formula C11H8BrFN2OS and a molecular weight of 315.17 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID103753515
Molecular FormulaC11H8BrFN2OS
Molecular Weight315.17 g/mol
Exact Mass313.95
IUPAC NameN-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2cc(F)ccc2Br)s1
InChIInChI=1S/C11H8BrFN2OS/c1-6-14-5-10(17-6)11(16)15-9-4-7(13)2-3-8(9)12/h2-5H,1H3,(H,15,16)
InChIKeyCKLRQZSNCIUARP-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103754876
4-bromo-2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030937
6-bromo-N-(2-bromo-5-fluorophenyl)pyridine-3-carboxamide
CID 103753509
2-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110856576
N-(2-bromo-5-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 103753400
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
N-(2-bromo-5-fluorophenyl)-3-methylpyridine-2-carboxamide
CID 103753363
N-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110862859
5-amino-N-(2-bromo-5-fluorophenyl)pyridine-2-carboxamide
CID 107624285
N-(2-bromo-5-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 75425983
N-(2-bromo-5-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 103753358
7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107638446

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 103753515) is N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)Nc2cc(F)ccc2Br)s1.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CKLRQZSNCIUARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2OS/c1-6-14-5-10(17-6)11(16)15-9-4-7(13)2-3-8(9)12/h2-5H,1H3,(H,15,16).
What are the key properties of N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(2-bromo-5-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 3.61, 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)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103753515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).