2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

C13H15N3O3S — CID 102884295

IUPAC2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC1CS(=O)(=O)CCN1c1nc2ccccn2c1C=O
InChIInChI=1S/C13H15N3O3S/c1-10-9-20(18,19)7-6-15(10)13-11(8-17)16-5-3-2-4-12(16)14-13/h2-5,8,10H,6-7,9H2,1H3
InChIKeyYHICBTBCWRHZBR-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.77
Rot. Bonds2

About 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 102884295) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID102884295
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC1CS(=O)(=O)CCN1c1nc2ccccn2c1C=O
InChIInChI=1S/C13H15N3O3S/c1-10-9-20(18,19)7-6-15(10)13-11(8-17)16-5-3-2-4-12(16)14-13/h2-5,8,10H,6-7,9H2,1H3
InChIKeyYHICBTBCWRHZBR-UHFFFAOYSA-N
XLogP0.77
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102883872
4-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 107085444
2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43586157
2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62090737
2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477784
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106836344
2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 103534998
[1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)isoquinolin-3-yl]methanol
CID 102885836
3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 102885437
2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106587506
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde (CID 102884295) is 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is CC1CS(=O)(=O)CCN1c1nc2ccccn2c1C=O.
What is the InChIKey of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is YHICBTBCWRHZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-10-9-20(18,19)7-6-15(10)13-11(8-17)16-5-3-2-4-12(16)14-13/h2-5,8,10H,6-7,9H2,1H3.
What are the key properties of 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde?
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 293.35 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 102884295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).