5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine

C12H15N3O2S2 — CID 43581384

IUPAC5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(N3CCS(=O)(=O)CC3)c(N)cc2s1
InChIInChI=1S/C12H15N3O2S2/c1-8-14-10-7-11(9(13)6-12(10)18-8)15-2-4-19(16,17)5-3-15/h6-7H,2-5,13H2,1H3
InChIKeyOIOMNHKIMKQELY-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.42
Rot. Bonds1

About 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine

5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43581384) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43581384
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2cc(N3CCS(=O)(=O)CC3)c(N)cc2s1
InChIInChI=1S/C12H15N3O2S2/c1-8-14-10-7-11(9(13)6-12(10)18-8)15-2-4-19(16,17)5-3-15/h6-7H,2-5,13H2,1H3
InChIKeyOIOMNHKIMKQELY-UHFFFAOYSA-N
XLogP1.42
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine (CID 43581384) is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2cc(N3CCS(=O)(=O)CC3)c(N)cc2s1.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is OIOMNHKIMKQELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-8-14-10-7-11(9(13)6-12(10)18-8)15-2-4-19(16,17)5-3-15/h6-7H,2-5,13H2,1H3.
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine?
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 297.41 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43581384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).