1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

C11H16N4O2S2 — CID 43581755

IUPAC1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(N2CCS(=O)(=O)CC2)nc2sccn12
InChIInChI=1S/C11H16N4O2S2/c1-12-8-9-10(13-11-15(9)2-5-18-11)14-3-6-19(16,17)7-4-14/h2,5,12H,3-4,6-8H2,1H3
InChIKeyVDIXOLAPFPFPQP-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.35
Rot. Bonds3

About 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine

1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (PubChem CID 43581755) has the molecular formula C11H16N4O2S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
PubChem CID43581755
Molecular FormulaC11H16N4O2S2
Molecular Weight300.41 g/mol
Exact Mass300.07
IUPAC Name1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1c(N2CCS(=O)(=O)CC2)nc2sccn12
InChIInChI=1S/C11H16N4O2S2/c1-12-8-9-10(13-11-15(9)2-5-18-11)14-3-6-19(16,17)7-4-14/h2,5,12H,3-4,6-8H2,1H3
InChIKeyVDIXOLAPFPFPQP-UHFFFAOYSA-N
XLogP0.35
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine (CID 43581755) is 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is CNCc1c(N2CCS(=O)(=O)CC2)nc2sccn12.
What is the InChIKey of 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
The InChIKey is VDIXOLAPFPFPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S2/c1-12-8-9-10(13-11-15(9)2-5-18-11)14-3-6-19(16,17)7-4-14/h2,5,12H,3-4,6-8H2,1H3.
What are the key properties of 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine?
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine has a molecular weight of 300.41 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 43581755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).