1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine

C12H15BrN2OS — CID 114182320

IUPAC1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2sccc2Br)o1
InChIInChI=1S/C12H15BrN2OS/c1-7-6-14-12(16-7)9(3)15-8(2)11-10(13)4-5-17-11/h4-6,8-9,15H,1-3H3
InChIKeyGVAFBPHSMOBQFF-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.22
Rot. Bonds4

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

1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (PubChem CID 114182320) has the molecular formula C12H15BrN2OS and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
PubChem CID114182320
Molecular FormulaC12H15BrN2OS
Molecular Weight315.24 g/mol
Exact Mass314.01
IUPAC Name1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2sccc2Br)o1
InChIInChI=1S/C12H15BrN2OS/c1-7-6-14-12(16-7)9(3)15-8(2)11-10(13)4-5-17-11/h4-6,8-9,15H,1-3H3
InChIKeyGVAFBPHSMOBQFF-UHFFFAOYSA-N
XLogP4.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine (CID 114182320) is 1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is Cc1cnc(C(C)NC(C)c2sccc2Br)o1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
The InChIKey is GVAFBPHSMOBQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2OS/c1-7-6-14-12(16-7)9(3)15-8(2)11-10(13)4-5-17-11/h4-6,8-9,15H,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine?
1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine has a molecular weight of 315.24 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine is sourced from PubChem (CID 114182320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).