N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C11H10BrFN4OS — CID 107593947

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cc(Br)c(F)cc2C)s1
InChIInChI=1S/C11H10BrFN4OS/c1-5-3-7(13)6(12)4-8(5)15-9(18)10-16-17-11(14-2)19-10/h3-4H,1-2H3,(H,14,17)(H,15,18)
InChIKeyYNPPMXQONBIFOI-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.04
Rot. Bonds3

About N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107593947) has the molecular formula C11H10BrFN4OS and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107593947
Molecular FormulaC11H10BrFN4OS
Molecular Weight345.20 g/mol
Exact Mass343.97
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)Nc2cc(Br)c(F)cc2C)s1
InChIInChI=1S/C11H10BrFN4OS/c1-5-3-7(13)6(12)4-8(5)15-9(18)10-16-17-11(14-2)19-10/h3-4H,1-2H3,(H,14,17)(H,15,18)
InChIKeyYNPPMXQONBIFOI-UHFFFAOYSA-N
XLogP3.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80623783
5-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 107592608
N-(5-bromo-4-methyl-2-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624614
N-(2,3-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615708
N-(4-bromo-2,3-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107793429
N-(3,4-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618897
N-(3-bromo-5-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107578585
N-(5-bromo-4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 103274895
4-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)benzamide
CID 107592498
N-(2,6-dichloro-4-fluorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079349
N-(2,6-dimethyl-3-pyridinyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624708
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 107593947) is N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)Nc2cc(Br)c(F)cc2C)s1.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is YNPPMXQONBIFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4OS/c1-5-3-7(13)6(12)4-8(5)15-9(18)10-16-17-11(14-2)19-10/h3-4H,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107593947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).