1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine

C10H10BrN3S — CID 178154945

IUPAC1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cccc(Br)c2)ns1
InChIInChI=1S/C10H10BrN3S/c1-12-6-9-13-10(14-15-9)7-3-2-4-8(11)5-7/h2-5,12H,6H2,1H3
InChIKeyZZDHHBGRPRAWOG-UHFFFAOYSA-N
MW284.18 g/mol
LogP2.69
Rot. Bonds3

About 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine

1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine (PubChem CID 178154945) has the molecular formula C10H10BrN3S and a molecular weight of 284.18 g/mol. Its IUPAC name is 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine
PubChem CID178154945
Molecular FormulaC10H10BrN3S
Molecular Weight284.18 g/mol
Exact Mass282.98
IUPAC Name1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine
SMILESCNCc1nc(-c2cccc(Br)c2)ns1
InChIInChI=1S/C10H10BrN3S/c1-12-6-9-13-10(14-15-9)7-3-2-4-8(11)5-7/h2-5,12H,6H2,1H3
InChIKeyZZDHHBGRPRAWOG-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268642
1-[2-(3-bromophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62755501
3-(3-bromophenyl)-N-tert-butyl-1,2,4-thiadiazol-5-amine
CID 65269243
1-[5-(3-bromophenyl)thiophen-2-yl]-N-methylmethanamine
CID 43275238
5-bromo-3-(3-methylphenyl)-1,2,4-thiadiazole
CID 83901137
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
3-(3-bromophenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823963
[2-(3-bromophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 62743751
3-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 116884770
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
4-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 79392299
1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
CID 106887821

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine (CID 178154945) is 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine is CNCc1nc(-c2cccc(Br)c2)ns1.
What is the InChIKey of 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine?
The InChIKey is ZZDHHBGRPRAWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3S/c1-12-6-9-13-10(14-15-9)7-3-2-4-8(11)5-7/h2-5,12H,6H2,1H3.
What are the key properties of 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine?
1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine has a molecular weight of 284.18 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromophenyl)-1,2,4-thiadiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 178154945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).