N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine

C9H9BrN2OS — CID 130991667

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine
SMILESCc1coc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C9H9BrN2OS/c1-6-5-13-9(12-6)11-4-7-2-3-8(10)14-7/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyFKFGRHDVKHBVRZ-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.42
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine

N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine (PubChem CID 130991667) has the molecular formula C9H9BrN2OS and a molecular weight of 273.16 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine
PubChem CID130991667
Molecular FormulaC9H9BrN2OS
Molecular Weight273.16 g/mol
Exact Mass271.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine
SMILESCc1coc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C9H9BrN2OS/c1-6-5-13-9(12-6)11-4-7-2-3-8(10)14-7/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyFKFGRHDVKHBVRZ-UHFFFAOYSA-N
XLogP3.42
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine (CID 130991667) is N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine is Cc1coc(NCc2ccc(Br)s2)n1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine?
The InChIKey is FKFGRHDVKHBVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-6-5-13-9(12-6)11-4-7-2-3-8(10)14-7/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine?
N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine has a molecular weight of 273.16 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-methyl-1,3-oxazol-2-amine is sourced from PubChem (CID 130991667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).