2-propan-2-yl-4H-1,4-thiazine

C7H11NS — CID 147580596

IUPAC2-propan-2-yl-4H-1,4-thiazine
SMILESCC(C)C1=CNC=CS1
InChIInChI=1S/C7H11NS/c1-6(2)7-5-8-3-4-9-7/h3-6,8H,1-2H3
InChIKeyFWINLBQLDOJBHA-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.29
Rot. Bonds1

About 2-propan-2-yl-4H-1,4-thiazine

2-propan-2-yl-4H-1,4-thiazine (PubChem CID 147580596) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-propan-2-yl-4H-1,4-thiazine.

Molecular Properties

Compound Name2-propan-2-yl-4H-1,4-thiazine
PubChem CID147580596
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-propan-2-yl-4H-1,4-thiazine
SMILESCC(C)C1=CNC=CS1
InChIInChI=1S/C7H11NS/c1-6(2)7-5-8-3-4-9-7/h3-6,8H,1-2H3
InChIKeyFWINLBQLDOJBHA-UHFFFAOYSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4H-1,4-thiazine?
The IUPAC name of 2-propan-2-yl-4H-1,4-thiazine (CID 147580596) is 2-propan-2-yl-4H-1,4-thiazine.
What is the SMILES notation for 2-propan-2-yl-4H-1,4-thiazine?
The canonical SMILES for 2-propan-2-yl-4H-1,4-thiazine is CC(C)C1=CNC=CS1.
What is the InChIKey of 2-propan-2-yl-4H-1,4-thiazine?
The InChIKey is FWINLBQLDOJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-6(2)7-5-8-3-4-9-7/h3-6,8H,1-2H3.
What are the key properties of 2-propan-2-yl-4H-1,4-thiazine?
2-propan-2-yl-4H-1,4-thiazine has a molecular weight of 141.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4H-1,4-thiazine is sourced from PubChem (CID 147580596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).