4H-1,4-thiazine

C4H5NS — CID 15789247

IUPAC4H-1,4-thiazine
SMILESC1=CSC=CN1
InChIInChI=1S/C4H5NS/c1-3-6-4-2-5-1/h1-5H
InChIKeyZOXMLSDKXHNVOQ-UHFFFAOYSA-N
MW99.16 g/mol
LogP1.27
Rot. Bonds

About 4H-1,4-thiazine

4H-1,4-thiazine (PubChem CID 15789247) has the molecular formula C4H5NS and a molecular weight of 99.16 g/mol. Its IUPAC name is 4H-1,4-thiazine.

Molecular Properties

Compound Name4H-1,4-thiazine
PubChem CID15789247
Molecular FormulaC4H5NS
Molecular Weight99.16 g/mol
Exact Mass99.01
IUPAC Name4H-1,4-thiazine
SMILESC1=CSC=CN1
InChIInChI=1S/C4H5NS/c1-3-6-4-2-5-1/h1-5H
InChIKeyZOXMLSDKXHNVOQ-UHFFFAOYSA-N
XLogP1.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-1,4-thiazine?
The IUPAC name of 4H-1,4-thiazine (CID 15789247) is 4H-1,4-thiazine.
What is the SMILES notation for 4H-1,4-thiazine?
The canonical SMILES for 4H-1,4-thiazine is C1=CSC=CN1.
What is the InChIKey of 4H-1,4-thiazine?
The InChIKey is ZOXMLSDKXHNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS/c1-3-6-4-2-5-1/h1-5H.
What are the key properties of 4H-1,4-thiazine?
4H-1,4-thiazine has a molecular weight of 99.16 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-1,4-thiazine is sourced from PubChem (CID 15789247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).