3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

C11H11BrN2OS — CID 154783567

IUPAC3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCc1sc(-c2cnc3n2CCOC3)cc1Br
InChIInChI=1S/C11H11BrN2OS/c1-7-8(12)4-10(16-7)9-5-13-11-6-15-3-2-14(9)11/h4-5H,2-3,6H2,1H3
InChIKeyQWTRCQUYKAZGEZ-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.21
Rot. Bonds1

About 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine

3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (PubChem CID 154783567) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
PubChem CID154783567
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
SMILESCc1sc(-c2cnc3n2CCOC3)cc1Br
InChIInChI=1S/C11H11BrN2OS/c1-7-8(12)4-10(16-7)9-5-13-11-6-15-3-2-14(9)11/h4-5H,2-3,6H2,1H3
InChIKeyQWTRCQUYKAZGEZ-UHFFFAOYSA-N
XLogP3.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The IUPAC name of 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine (CID 154783567) is 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine.
What is the SMILES notation for 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The canonical SMILES for 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is Cc1sc(-c2cnc3n2CCOC3)cc1Br.
What is the InChIKey of 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
The InChIKey is QWTRCQUYKAZGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-7-8(12)4-10(16-7)9-5-13-11-6-15-3-2-14(9)11/h4-5H,2-3,6H2,1H3.
What are the key properties of 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine?
3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine has a molecular weight of 299.19 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-5-methylthiophen-2-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine is sourced from PubChem (CID 154783567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).