N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

C10H11BrN2OS2 — CID 106925785

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESBrc1csc(CNCCSc2ncco2)c1
InChIInChI=1S/C10H11BrN2OS2/c11-8-5-9(16-7-8)6-12-2-4-15-10-13-1-3-14-10/h1,3,5,7,12H,2,4,6H2
InChIKeyFGMMHHIFKMWBKF-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.38
Rot. Bonds6

About N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine

N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (PubChem CID 106925785) has the molecular formula C10H11BrN2OS2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
PubChem CID106925785
Molecular FormulaC10H11BrN2OS2
Molecular Weight319.25 g/mol
Exact Mass317.95
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
SMILESBrc1csc(CNCCSc2ncco2)c1
InChIInChI=1S/C10H11BrN2OS2/c11-8-5-9(16-7-8)6-12-2-4-15-10-13-1-3-14-10/h1,3,5,7,12H,2,4,6H2
InChIKeyFGMMHHIFKMWBKF-UHFFFAOYSA-N
XLogP3.38
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 55092254
N-[(5-chlorothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106925799
N-[(4-bromothiophen-2-yl)methyl]-2-quinazolin-4-ylsulfanylethanamine
CID 62577196
N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]butan-1-amine
CID 106925756
N-[(4-bromothiophen-2-yl)methyl]-2-tert-butylsulfanylethanamine
CID 62578173
2-methoxy-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]ethanamine
CID 106925810
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylpropylsulfanyl)ethanamine
CID 62576331
N-[(4-bromothiophen-2-yl)methyl]-2-(3-methylbutan-2-ylsulfanyl)ethanamine
CID 107757286
N-[(4-bromothiophen-2-yl)methyl]-2-(4-methylsulfonylphenyl)sulfanylethanamine
CID 63238560
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methoxyethylsulfanyl)ethanamine
CID 62577392
N-[(4-bromothiophen-2-yl)methyl]-2-butan-2-ylsulfanylethanamine
CID 62578187
N-[(4-bromothiophen-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115580177

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine (CID 106925785) is N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is Brc1csc(CNCCSc2ncco2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
The InChIKey is FGMMHHIFKMWBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2OS2/c11-8-5-9(16-7-8)6-12-2-4-15-10-13-1-3-14-10/h1,3,5,7,12H,2,4,6H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine?
N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine has a molecular weight of 319.25 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-2-(1,3-oxazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 106925785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).