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

C10H10BrN3S — CID 65268042

IUPACN-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccccc2Br)n1
InChIInChI=1S/C10H10BrN3S/c1-7-13-10(15-14-7)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyWEUFXFHVFHBCGL-UHFFFAOYSA-N
MW284.18 g/mol
LogP3.22
Rot. Bonds3

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

N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65268042) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65268042
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC NameN-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2ccccc2Br)n1
InChIInChI=1S/C10H10BrN3S/c1-7-13-10(15-14-7)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H,12,13,14)
InChIKeyWEUFXFHVFHBCGL-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65277212
N-[(2,5-dimethylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 115924876
3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65268749
N-[(2-fluoro-5-methylphenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 115924904
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777303
N-[(2-bromophenyl)methyl]-4-methylthiophen-3-amine
CID 115751803
methyl 2-[(2-bromophenyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423972
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133331317
N-[(2-bromophenyl)methyl]-3-methylquinoxalin-2-amine
CID 62049687
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
N-[(2-bromophenyl)methyl]-2,6-dimethylaniline
CID 55024912
1-[5-[(2-bromophenyl)methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79363518

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 65268042) is N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2ccccc2Br)n1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WEUFXFHVFHBCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-7-13-10(15-14-7)12-6-8-4-2-3-5-9(8)11/h2-5H,6H2,1H3,(H,12,13,14).
What are the key properties of N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 284.18 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).