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

C8H8BrN3S2 — CID 107966948

IUPAC1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2csc(Br)c2)s1
InChIInChI=1S/C8H8BrN3S2/c1-10-3-7-11-12-8(14-7)5-2-6(9)13-4-5/h2,4,10H,3H2,1H3
InChIKeyTVHCHDNPAKXYDD-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.75
Rot. Bonds3

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

1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (PubChem CID 107966948) has the molecular formula C8H8BrN3S2 and a molecular weight of 290.21 g/mol. Its IUPAC name is 1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
PubChem CID107966948
Molecular FormulaC8H8BrN3S2
Molecular Weight290.21 g/mol
Exact Mass288.93
IUPAC Name1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(-c2csc(Br)c2)s1
InChIInChI=1S/C8H8BrN3S2/c1-10-3-7-11-12-8(14-7)5-2-6(9)13-4-5/h2,4,10H,3H2,1H3
InChIKeyTVHCHDNPAKXYDD-UHFFFAOYSA-N
XLogP2.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107966932
4-[5-(methylaminomethyl)-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 136885725
N-[1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 107966972
1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 106856382
1-[5-(4-bromo-2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 115370308
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 106754424
N-[[5-(4-bromo-3-chlorophenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 81307865
N-[[5-(6-bromonaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 115354613
N-methyl-1-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 79206369
1-[5-(2-bromophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 80623405
N-[2-[5-(5-bromothiophen-3-yl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107965637
N-[[5-(3-chloro-5-methylphenyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81325227

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine (CID 107966948) is 1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(-c2csc(Br)c2)s1.
What is the InChIKey of 1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
The InChIKey is TVHCHDNPAKXYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S2/c1-10-3-7-11-12-8(14-7)5-2-6(9)13-4-5/h2,4,10H,3H2,1H3.
What are the key properties of 1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine?
1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine has a molecular weight of 290.21 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107966948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).