8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide

C15H16BrN3O3S — CID 139666250

IUPAC8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide
SMILESBr.COc1cc(C2=CSC3=NCCN23)c2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C15H15N3O3S.BrH/c1-17-11-6-9(20-2)5-10(14(11)21-7-13(17)19)12-8-22-15-16-3-4-18(12)15;/h5-6,8H,3-4,7H2,1-2H3;1H
InChIKeyBVPHNTBNEAULHK-UHFFFAOYSA-N
MW398.28 g/mol
LogP2.35
Rot. Bonds2

About 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide

8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide (PubChem CID 139666250) has the molecular formula C15H16BrN3O3S and a molecular weight of 398.28 g/mol. Its IUPAC name is 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide.

Molecular Properties

Compound Name8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide
PubChem CID139666250
Molecular FormulaC15H16BrN3O3S
Molecular Weight398.28 g/mol
Exact Mass397.01
IUPAC Name8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide
SMILESBr.COc1cc(C2=CSC3=NCCN23)c2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C15H15N3O3S.BrH/c1-17-11-6-9(20-2)5-10(14(11)21-7-13(17)19)12-8-22-15-16-3-4-18(12)15;/h5-6,8H,3-4,7H2,1-2H3;1H
InChIKeyBVPHNTBNEAULHK-UHFFFAOYSA-N
XLogP2.35
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide?
The IUPAC name of 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide (CID 139666250) is 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide.
What is the SMILES notation for 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide?
The canonical SMILES for 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide is Br.COc1cc(C2=CSC3=NCCN23)c2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide?
The InChIKey is BVPHNTBNEAULHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S.BrH/c1-17-11-6-9(20-2)5-10(14(11)21-7-13(17)19)12-8-22-15-16-3-4-18(12)15;/h5-6,8H,3-4,7H2,1-2H3;1H.
What are the key properties of 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide?
8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide has a molecular weight of 398.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-6-methoxy-4-methyl-1,4-benzoxazin-3-one;hydrobromide is sourced from PubChem (CID 139666250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).