2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde

C9H12N2O3S2 — CID 62764717

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N2CCS(=O)(=O)CC2)sc1C=O
InChIInChI=1S/C9H12N2O3S2/c1-7-8(6-12)15-9(10-7)11-2-4-16(13,14)5-3-11/h6H,2-5H2,1H3
InChIKeySKZLHWDDXMKZNP-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.50
Rot. Bonds2

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde

2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62764717) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID62764717
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N2CCS(=O)(=O)CC2)sc1C=O
InChIInChI=1S/C9H12N2O3S2/c1-7-8(6-12)15-9(10-7)11-2-4-16(13,14)5-3-11/h6H,2-5H2,1H3
InChIKeySKZLHWDDXMKZNP-UHFFFAOYSA-N
XLogP0.50
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.50
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

4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carbaldehyde
CID 63626495
4-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62765228
2-(4-ethyl-3-methylpiperazin-1-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 63621380
2-(2-ethylmorpholin-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 62764374
2-(3-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55112644
4-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 102884277
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone
CID 155505815
4-chloro-2-[4-(dimethylamino)piperidin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 80688163
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395059
2,4-dimethyl-1,3-thiazole-5-carbaldehyde;ethane
CID 142103323
2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62766450
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 75425181

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 62764717) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(N2CCS(=O)(=O)CC2)sc1C=O.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is SKZLHWDDXMKZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c1-7-8(6-12)15-9(10-7)11-2-4-16(13,14)5-3-11/h6H,2-5H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62764717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).