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

C13H20N4O2S2 — CID 43581757

IUPACN-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(N2CCS(=O)(=O)CC2)nc2sccn12
InChIInChI=1S/C13H20N4O2S2/c1-10(2)14-9-11-12(15-13-17(11)3-6-20-13)16-4-7-21(18,19)8-5-16/h3,6,10,14H,4-5,7-9H2,1-2H3
InChIKeyMPKVYKHCEFTVDX-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.13
Rot. Bonds4

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

N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (PubChem CID 43581757) has the molecular formula C13H20N4O2S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
PubChem CID43581757
Molecular FormulaC13H20N4O2S2
Molecular Weight328.46 g/mol
Exact Mass328.10
IUPAC NameN-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1c(N2CCS(=O)(=O)CC2)nc2sccn12
InChIInChI=1S/C13H20N4O2S2/c1-10(2)14-9-11-12(15-13-17(11)3-6-20-13)16-4-7-21(18,19)8-5-16/h3,6,10,14H,4-5,7-9H2,1-2H3
InChIKeyMPKVYKHCEFTVDX-UHFFFAOYSA-N
XLogP1.13
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine (CID 43581757) is N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1c(N2CCS(=O)(=O)CC2)nc2sccn12.
What is the InChIKey of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is MPKVYKHCEFTVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S2/c1-10(2)14-9-11-12(15-13-17(11)3-6-20-13)16-4-7-21(18,19)8-5-16/h3,6,10,14H,4-5,7-9H2,1-2H3.
What are the key properties of N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine?
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 328.46 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 43581757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).