2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

C12H19N3O3S2 — CID 80520178

IUPAC2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)CC2CS(=O)(=O)CCN2)n1
InChIInChI=1S/C12H19N3O3S2/c1-8(2)10-6-19-12(14-10)15-11(16)5-9-7-20(17,18)4-3-13-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyCQOCYMYBIYWKAS-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.98
Rot. Bonds4

About 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 80520178) 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-propan-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID80520178
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(C)c1csc(NC(=O)CC2CS(=O)(=O)CCN2)n1
InChIInChI=1S/C12H19N3O3S2/c1-8(2)10-6-19-12(14-10)15-11(16)5-9-7-20(17,18)4-3-13-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyCQOCYMYBIYWKAS-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 54958427
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 80520928
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 81409100
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81409085
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 80520062
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81410503
N-(1,3-benzothiazol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520523
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
N-butan-2-yl-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520375
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 80520060

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide (CID 80520178) is 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide is CC(C)c1csc(NC(=O)CC2CS(=O)(=O)CCN2)n1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CQOCYMYBIYWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-8(2)10-6-19-12(14-10)15-11(16)5-9-7-20(17,18)4-3-13-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide?
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 317.44 g/mol, XLogP of 0.98, 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-propan-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 80520178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).