1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone

C10H14N2O3S2 — CID 136534354

IUPAC1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1CN(C(=O)Cc2cncs2)CCS1(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-8-6-12(2-3-17(8,14)15)10(13)4-9-5-11-7-16-9/h5,7-8H,2-4,6H2,1H3
InChIKeyCOBIYDNSTMAYCE-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.33
Rot. Bonds2

About 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone

1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 136534354) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID136534354
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1CN(C(=O)Cc2cncs2)CCS1(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-8-6-12(2-3-17(8,14)15)10(13)4-9-5-11-7-16-9/h5,7-8H,2-4,6H2,1H3
InChIKeyCOBIYDNSTMAYCE-UHFFFAOYSA-N
XLogP0.33
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone with MolForge

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Related Compounds

2-(2-tert-Butyl-1,3-thiazol-5-yl)-N,N-dimethylacetamide
CID 71426525
1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone
CID 164634657
[5-Oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676533
5-Oxo-1-[2-(1,3-thiazol-5-yl)ethyl]pyrrolidine-3-sulfonyl fluoride
CID 168714936
N-methyl-N-propan-2-yl-2-(1,3-thiazol-5-yl)acetamide
CID 69869326
2-(1,3-Thiazol-5-yl)-1-thiomorpholin-4-ylethanone
CID 141065533
1-Morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone
CID 141065535
2-(2-Methylsulfonyl-1,3-thiazol-5-yl)acetamide
CID 173100919
1-Piperazin-1-yl-2-(1,3-thiazol-5-yl)ethanone
CID 82508326
2-(2-Methyl-1,3-thiazol-5-yl)-1-piperazin-1-ylethanone
CID 82509786
3-Methylsulfonyl-1-[3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 84584166
3-methylsulfonyl-1-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 97214102

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone (CID 136534354) is 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone is CC1CN(C(=O)Cc2cncs2)CCS1(=O)=O.
What is the InChIKey of 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is COBIYDNSTMAYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-8-6-12(2-3-17(8,14)15)10(13)4-9-5-11-7-16-9/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone?
1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 274.37 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 136534354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).