1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine

C10H9BrFN3S — CID 82973605

IUPAC1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1snnc1-c1cc(Br)ccc1F
InChIInChI=1S/C10H9BrFN3S/c1-13-5-9-10(14-15-16-9)7-4-6(11)2-3-8(7)12/h2-4,13H,5H2,1H3
InChIKeyKDIAIPVSPPYEBN-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine

1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine (PubChem CID 82973605) has the molecular formula C10H9BrFN3S and a molecular weight of 302.17 g/mol. Its IUPAC name is 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
PubChem CID82973605
Molecular FormulaC10H9BrFN3S
Molecular Weight302.17 g/mol
Exact Mass300.97
IUPAC Name1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1snnc1-c1cc(Br)ccc1F
InChIInChI=1S/C10H9BrFN3S/c1-13-5-9-10(14-15-16-9)7-4-6(11)2-3-8(7)12/h2-4,13H,5H2,1H3
InChIKeyKDIAIPVSPPYEBN-UHFFFAOYSA-N
XLogP2.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114895190
1-[2-(5-bromo-2-fluorophenyl)phenyl]-N-methylmethanamine
CID 79743234
1-[2-(5-bromo-2-fluorophenyl)-4-fluorophenyl]-N-methylmethanamine
CID 114060273
N-[[4-(2-bromo-4-fluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 114069218
N-[[4-(2,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209005
1-[4-(5-bromo-2-fluorophenyl)-3-methylphenyl]-N-methylmethanamine
CID 79743412
1-[1-(5-bromo-2-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl]-N-methylmethanamine
CID 84611501
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82966778
1-[2-(4-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 114906976
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
N-[[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114895360
1-[4-(5-bromo-2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanone
CID 116867527

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine (CID 82973605) is 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine is CNCc1snnc1-c1cc(Br)ccc1F.
What is the InChIKey of 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
The InChIKey is KDIAIPVSPPYEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3S/c1-13-5-9-10(14-15-16-9)7-4-6(11)2-3-8(7)12/h2-4,13H,5H2,1H3.
What are the key properties of 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine?
1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine has a molecular weight of 302.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-bromo-2-fluorophenyl)thiadiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82973605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).