5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine

C7H13NS — CID 55286253

IUPAC5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCC(C)C1=CSCCN1
InChIInChI=1S/C7H13NS/c1-6(2)7-5-9-4-3-8-7/h5-6,8H,3-4H2,1-2H3
InChIKeyFRPHABOYJXBWRC-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.82
Rot. Bonds1

About 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine

5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 55286253) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
PubChem CID55286253
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine
SMILESCC(C)C1=CSCCN1
InChIInChI=1S/C7H13NS/c1-6(2)7-5-9-4-3-8-7/h5-6,8H,3-4H2,1-2H3
InChIKeyFRPHABOYJXBWRC-UHFFFAOYSA-N
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine (CID 55286253) is 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine is CC(C)C1=CSCCN1.
What is the InChIKey of 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is FRPHABOYJXBWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(2)7-5-9-4-3-8-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine?
5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 143.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 55286253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).