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

C11H10BrFN4OS — CID 80618436

IUPACN-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ccc(Br)cc2F)s1
InChIInChI=1S/C11H10BrFN4OS/c1-2-14-11-17-16-10(19-11)9(18)15-8-4-3-6(12)5-7(8)13/h3-5H,2H2,1H3,(H,14,17)(H,15,18)
InChIKeyQHFDJSQPMRFHGJ-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.12
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618436) has the molecular formula C11H10BrFN4OS and a molecular weight of 345.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618436
Molecular FormulaC11H10BrFN4OS
Molecular Weight345.20 g/mol
Exact Mass343.97
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2ccc(Br)cc2F)s1
InChIInChI=1S/C11H10BrFN4OS/c1-2-14-11-17-16-10(19-11)9(18)15-8-4-3-6(12)5-7(8)13/h3-5H,2H2,1H3,(H,14,17)(H,15,18)
InChIKeyQHFDJSQPMRFHGJ-UHFFFAOYSA-N
XLogP3.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618111
N-(5-bromo-2-chlorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617307
N-(2,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80617762
N-(3,5-difluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616145
N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079441
5-(ethylamino)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615974
5-(ethylamino)-N-(2-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615969
N-(2-bromo-5-methoxyphenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80624690
5-(ethylamino)-N-(4-methoxy-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616813
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)benzamide
CID 62171530
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212
N-(4-chloro-2-iodophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107631539

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80618436) is N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)Nc2ccc(Br)cc2F)s1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QHFDJSQPMRFHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4OS/c1-2-14-11-17-16-10(19-11)9(18)15-8-4-3-6(12)5-7(8)13/h3-5H,2H2,1H3,(H,14,17)(H,15,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 345.20 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).