2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

C12H19N3O3S2 — CID 80520062

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)CC2CS(=O)(=O)CCN2)sc1C
InChIInChI=1S/C12H19N3O3S2/c1-3-10-8(2)19-12(14-10)15-11(16)6-9-7-20(17,18)5-4-13-9/h9,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOYZRPRMQWCRRQI-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.73
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 80520062) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID80520062
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)CC2CS(=O)(=O)CCN2)sc1C
InChIInChI=1S/C12H19N3O3S2/c1-3-10-8(2)19-12(14-10)15-11(16)6-9-7-20(17,18)5-4-13-9/h9,13H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOYZRPRMQWCRRQI-UHFFFAOYSA-N
XLogP0.73
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (CID 80520062) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is CCc1nc(NC(=O)CC2CS(=O)(=O)CCN2)sc1C.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OYZRPRMQWCRRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-3-10-8(2)19-12(14-10)15-11(16)6-9-7-20(17,18)5-4-13-9/h9,13H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 317.44 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 80520062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).