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

C9H10BrN3OS — CID 61014097

IUPAC1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CNCc2ccc(Br)s2)n1
InChIInChI=1S/C9H10BrN3OS/c1-6-12-9(14-13-6)5-11-4-7-2-3-8(10)15-7/h2-3,11H,4-5H2,1H3
InChIKeyXHACQRBDFLBAHP-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.49
Rot. Bonds4

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

1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 61014097) has the molecular formula C9H10BrN3OS and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID61014097
Molecular FormulaC9H10BrN3OS
Molecular Weight288.17 g/mol
Exact Mass286.97
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCc1noc(CNCc2ccc(Br)s2)n1
InChIInChI=1S/C9H10BrN3OS/c1-6-12-9(14-13-6)5-11-4-7-2-3-8(10)15-7/h2-3,11H,4-5H2,1H3
InChIKeyXHACQRBDFLBAHP-UHFFFAOYSA-N
XLogP2.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 61014097) is 1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is Cc1noc(CNCc2ccc(Br)s2)n1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is XHACQRBDFLBAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3OS/c1-6-12-9(14-13-6)5-11-4-7-2-3-8(10)15-7/h2-3,11H,4-5H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 288.17 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 61014097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).