N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C10H9BrFN3S — CID 65267925

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C10H9BrFN3S/c1-6-14-10(16-15-6)13-5-7-4-8(11)2-3-9(7)12/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyXKESMTMMNVVTED-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.36
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267925) has the molecular formula C10H9BrFN3S and a molecular weight of 302.17 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267925
Molecular FormulaC10H9BrFN3S
Molecular Weight302.17 g/mol
Exact Mass300.97
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2cc(Br)ccc2F)n1
InChIInChI=1S/C10H9BrFN3S/c1-6-14-10(16-15-6)13-5-7-4-8(11)2-3-9(7)12/h2-4H,5H2,1H3,(H,13,14,15)
InChIKeyXKESMTMMNVVTED-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267925) is N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2cc(Br)ccc2F)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XKESMTMMNVVTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3S/c1-6-14-10(16-15-6)13-5-7-4-8(11)2-3-9(7)12/h2-4H,5H2,1H3,(H,13,14,15).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 302.17 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).