[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol

C8H12N2O2S2 — CID 62754366

IUPAC[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol
SMILESO=S1CCN(c2ncc(CO)s2)CC1
InChIInChI=1S/C8H12N2O2S2/c11-6-7-5-9-8(13-7)10-1-3-14(12)4-2-10/h5,11H,1-4,6H2
InChIKeyFCZPVQKSJFSJHP-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.20
Rot. Bonds2

About [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol

[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 62754366) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol
PubChem CID62754366
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol
SMILESO=S1CCN(c2ncc(CO)s2)CC1
InChIInChI=1S/C8H12N2O2S2/c11-6-7-5-9-8(13-7)10-1-3-14(12)4-2-10/h5,11H,1-4,6H2
InChIKeyFCZPVQKSJFSJHP-UHFFFAOYSA-N
XLogP0.20
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.20
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)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol (CID 62754366) is [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol is O=S1CCN(c2ncc(CO)s2)CC1.
What is the InChIKey of [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is FCZPVQKSJFSJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c11-6-7-5-9-8(13-7)10-1-3-14(12)4-2-10/h5,11H,1-4,6H2.
What are the key properties of [2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol?
[2-(1-oxo-1,4-thiazinan-4-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 232.33 g/mol, XLogP of 0.20, 2 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)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62754366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).