4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine

C10H13NS — CID 143123514

IUPAC4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine
SMILESCN1CCSC2=C1CC=CC=C2
InChIInChI=1S/C10H13NS/c1-11-7-8-12-10-6-4-2-3-5-9(10)11/h2-4,6H,5,7-8H2,1H3
InChIKeyFVTNIBUTQNATKW-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.39
Rot. Bonds

About 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine

4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine (PubChem CID 143123514) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine.

Molecular Properties

Compound Name4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine
PubChem CID143123514
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine
SMILESCN1CCSC2=C1CC=CC=C2
InChIInChI=1S/C10H13NS/c1-11-7-8-12-10-6-4-2-3-5-9(10)11/h2-4,6H,5,7-8H2,1H3
InChIKeyFVTNIBUTQNATKW-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine?
The IUPAC name of 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine (CID 143123514) is 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine.
What is the SMILES notation for 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine?
The canonical SMILES for 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine is CN1CCSC2=C1CC=CC=C2.
What is the InChIKey of 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine?
The InChIKey is FVTNIBUTQNATKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-11-7-8-12-10-6-4-2-3-5-9(10)11/h2-4,6H,5,7-8H2,1H3.
What are the key properties of 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine?
4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine has a molecular weight of 179.29 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,5-dihydro-2H-cyclohepta[b][1,4]thiazine is sourced from PubChem (CID 143123514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).