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

C9H12BrN5S2 — CID 80613669

IUPAC1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1cc(Br)cs1)Cc1nnc(NN)s1
InChIInChI=1S/C9H12BrN5S2/c1-15(3-7-2-6(10)5-16-7)4-8-13-14-9(12-11)17-8/h2,5H,3-4,11H2,1H3,(H,12,14)
InChIKeyAUTWKSRDYYHTAD-UHFFFAOYSA-N
MW334.27 g/mol
LogP2.28
Rot. Bonds5

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

1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine (PubChem CID 80613669) has the molecular formula C9H12BrN5S2 and a molecular weight of 334.27 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
PubChem CID80613669
Molecular FormulaC9H12BrN5S2
Molecular Weight334.27 g/mol
Exact Mass332.97
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1cc(Br)cs1)Cc1nnc(NN)s1
InChIInChI=1S/C9H12BrN5S2/c1-15(3-7-2-6(10)5-16-7)4-8-13-14-9(12-11)17-8/h2,5H,3-4,11H2,1H3,(H,12,14)
InChIKeyAUTWKSRDYYHTAD-UHFFFAOYSA-N
XLogP2.28
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 80614574
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614289
1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
CID 79259910
5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79771169
5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606208
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-2-methylpropanenitrile
CID 80614579
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl-methylamino]-N-methylpropanamide
CID 106918004
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 112664455
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81073772
3-[(4-bromothiophen-2-yl)methyl-methylamino]-2-methylpropanehydrazide
CID 63584163
2-[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]phenyl]acetohydrazide
CID 105351841
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine (CID 80613669) is 1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine is CN(Cc1cc(Br)cs1)Cc1nnc(NN)s1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine?
The InChIKey is AUTWKSRDYYHTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5S2/c1-15(3-7-2-6(10)5-16-7)4-8-13-14-9(12-11)17-8/h2,5H,3-4,11H2,1H3,(H,12,14).
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine?
1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine has a molecular weight of 334.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 80613669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).