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

C11H13BrN2OS — CID 103820215

IUPAC1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2csc(Br)c2)oc1C
InChIInChI=1S/C11H13BrN2OS/c1-7-8(2)15-11(14-7)5-13-4-9-3-10(12)16-6-9/h3,6,13H,4-5H2,1-2H3
InChIKeyLRYVLHBZEQXODO-UHFFFAOYSA-N
MW301.21 g/mol
LogP3.41
Rot. Bonds4

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

1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 103820215) has the molecular formula C11H13BrN2OS and a molecular weight of 301.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID103820215
Molecular FormulaC11H13BrN2OS
Molecular Weight301.21 g/mol
Exact Mass299.99
IUPAC Name1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCc1nc(CNCc2csc(Br)c2)oc1C
InChIInChI=1S/C11H13BrN2OS/c1-7-8(2)15-11(14-7)5-13-4-9-3-10(12)16-6-9/h3,6,13H,4-5H2,1-2H3
InChIKeyLRYVLHBZEQXODO-UHFFFAOYSA-N
XLogP3.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dibromo-4-methoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673066
4-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]-2,6-dimethylphenol
CID 106370332
1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106370288
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106378311
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
N-[(5-bromothiophen-3-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 60962321
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54882211
2-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]thiophen-3-amine
CID 106370731
2-[(5-bromothiophen-3-yl)methylamino]acetonitrile
CID 130688668
N-[(5-bromothiophen-3-yl)methyl]-2,2,2-trifluoroethanamine
CID 43432019
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-fluoro-4-nitrophenyl)methanamine
CID 106372979
1-(1-tert-butylpyrazol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673286

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 103820215) is 1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is Cc1nc(CNCc2csc(Br)c2)oc1C.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is LRYVLHBZEQXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2OS/c1-7-8(2)15-11(14-7)5-13-4-9-3-10(12)16-6-9/h3,6,13H,4-5H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 301.21 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103820215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).