1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine

C12H15BrN4S — CID 79259910

IUPAC1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cc(NN)ccn1)Cc1cc(Br)cs1
InChIInChI=1S/C12H15BrN4S/c1-17(7-12-4-9(13)8-18-12)6-11-5-10(16-14)2-3-15-11/h2-5,8H,6-7,14H2,1H3,(H,15,16)
InChIKeyRBRYSJNGESZEOP-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.82
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine

1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine (PubChem CID 79259910) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
PubChem CID79259910
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cc(NN)ccn1)Cc1cc(Br)cs1
InChIInChI=1S/C12H15BrN4S/c1-17(7-12-4-9(13)8-18-12)6-11-5-10(16-14)2-3-15-11/h2-5,8H,6-7,14H2,1H3,(H,15,16)
InChIKeyRBRYSJNGESZEOP-UHFFFAOYSA-N
XLogP2.82
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(4-bromothiophen-2-yl)methyl]-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62248535
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 79259077
1-(4-hydrazinyl-2-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 79259558
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79244648
1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
CID 80613669
N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 79259173
N-ethyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]propan-1-amine
CID 79260106
N-butyl-N-[(4-hydrazinyl-2-pyridinyl)methyl]butan-1-amine
CID 79259739
N-ethyl-2,2,2-trifluoro-N-[(4-hydrazinyl-2-pyridinyl)methyl]ethanamine
CID 79259080
N'-[(4-hydrazinyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 79259826
N-[(4-hydrazinyl-2-pyridinyl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 114011256
N'-[(4-hydrazinyl-2-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 79259446

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine (CID 79259910) is 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine is CN(Cc1cc(NN)ccn1)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine?
The InChIKey is RBRYSJNGESZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-17(7-12-4-9(13)8-18-12)6-11-5-10(16-14)2-3-15-11/h2-5,8H,6-7,14H2,1H3,(H,15,16).
What are the key properties of 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine?
1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine has a molecular weight of 327.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-[(4-hydrazinyl-2-pyridinyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 79259910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).