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

C9H8BrN3S — CID 62829306

IUPAC3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Cc2ccccc2Br)ns1
InChIInChI=1S/C9H8BrN3S/c10-7-4-2-1-3-6(7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKeyLMNHCSKPTJFGLV-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.47
Rot. Bonds2

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

3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 62829306) has the molecular formula C9H8BrN3S and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID62829306
Molecular FormulaC9H8BrN3S
Molecular Weight270.16 g/mol
Exact Mass268.96
IUPAC Name3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESNc1nc(Cc2ccccc2Br)ns1
InChIInChI=1S/C9H8BrN3S/c10-7-4-2-1-3-6(7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H2,11,12,13)
InChIKeyLMNHCSKPTJFGLV-UHFFFAOYSA-N
XLogP2.47
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)methyl]-N-ethyl-1,2,4-thiadiazol-5-amine
CID 65268749
3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 66094246
[2-[(2-bromophenyl)methyl]pyrimidin-4-yl]methanamine
CID 62830563
3-[(2-bromophenyl)methyl]-1,5-dimethyl-1,2,4-triazole
CID 82486920
2-[(2-bromophenyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole
CID 82490108
2-[(2-bromophenyl)methyl]-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 63497508
5-[[(2-bromophenyl)methyl-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606807
3-(chloromethyl)-1,2,4-thiadiazol-5-amine
CID 14012604
2-[(2-bromophenyl)methyl]-6-tert-butyl-5-iodopyrimidin-4-amine
CID 66306626
3-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 62829126
4-[(2-bromophenyl)methyl]-6-cyclohexyl-1,3,5-triazin-2-amine
CID 63868359
1-[2-[(2-bromophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 55118656

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 62829306) is 3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine is Nc1nc(Cc2ccccc2Br)ns1.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LMNHCSKPTJFGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S/c10-7-4-2-1-3-6(7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H2,11,12,13).
What are the key properties of 3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine?
3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 270.16 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 62829306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).