2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C11H16N2O2S2 — CID 62754367

IUPAC2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESO=S1CCN(c2nc3c(s2)C(O)CCC3)CC1
InChIInChI=1S/C11H16N2O2S2/c14-9-3-1-2-8-10(9)16-11(12-8)13-4-6-17(15)7-5-13/h9,14H,1-7H2
InChIKeySCKHIHYLANXJNB-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.08
Rot. Bonds1

About 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 62754367) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID62754367
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESO=S1CCN(c2nc3c(s2)C(O)CCC3)CC1
InChIInChI=1S/C11H16N2O2S2/c14-9-3-1-2-8-10(9)16-11(12-8)13-4-6-17(15)7-5-13/h9,14H,1-7H2
InChIKeySCKHIHYLANXJNB-UHFFFAOYSA-N
XLogP1.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 62754367) is 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is O=S1CCN(c2nc3c(s2)C(O)CCC3)CC1.
What is the InChIKey of 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is SCKHIHYLANXJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c14-9-3-1-2-8-10(9)16-11(12-8)13-4-6-17(15)7-5-13/h9,14H,1-7H2.
What are the key properties of 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 272.39 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1,4-thiazinan-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62754367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).