4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide

C11H13BrN4O2S — CID 102885431

IUPAC4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1nc(Br)cn2ccnc12
InChIInChI=1S/C11H13BrN4O2S/c1-8-7-19(17,18)5-4-16(8)11-10-13-2-3-15(10)6-9(12)14-11/h2-3,6,8H,4-5,7H2,1H3
InChIKeyRJYMKKYRQYLJFA-UHFFFAOYSA-N
MW345.22 g/mol
LogP1.12
Rot. Bonds1

About 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102885431) has the molecular formula C11H13BrN4O2S and a molecular weight of 345.22 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102885431
Molecular FormulaC11H13BrN4O2S
Molecular Weight345.22 g/mol
Exact Mass343.99
IUPAC Name4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1nc(Br)cn2ccnc12
InChIInChI=1S/C11H13BrN4O2S/c1-8-7-19(17,18)5-4-16(8)11-10-13-2-3-15(10)6-9(12)14-11/h2-3,6,8H,4-5,7H2,1H3
InChIKeyRJYMKKYRQYLJFA-UHFFFAOYSA-N
XLogP1.12
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.22
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102885431) is 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1c1nc(Br)cn2ccnc12.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is RJYMKKYRQYLJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2S/c1-8-7-19(17,18)5-4-16(8)11-10-13-2-3-15(10)6-9(12)14-11/h2-3,6,8H,4-5,7H2,1H3.
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 345.22 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102885431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).