2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine

C7H14N2S — CID 129098843

IUPAC2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine
SMILESCN1CC2CSCCN2C1
InChIInChI=1S/C7H14N2S/c1-8-4-7-5-10-3-2-9(7)6-8/h7H,2-6H2,1H3
InChIKeyIOSFDCMCGKSLDX-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.31
Rot. Bonds

About 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine

2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine (PubChem CID 129098843) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine.

Molecular Properties

Compound Name2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine
PubChem CID129098843
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine
SMILESCN1CC2CSCCN2C1
InChIInChI=1S/C7H14N2S/c1-8-4-7-5-10-3-2-9(7)6-8/h7H,2-6H2,1H3
InChIKeyIOSFDCMCGKSLDX-UHFFFAOYSA-N
XLogP0.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine?
The IUPAC name of 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine (CID 129098843) is 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine.
What is the SMILES notation for 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine?
The canonical SMILES for 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine is CN1CC2CSCCN2C1.
What is the InChIKey of 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine?
The InChIKey is IOSFDCMCGKSLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S/c1-8-4-7-5-10-3-2-9(7)6-8/h7H,2-6H2,1H3.
What are the key properties of 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine?
2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine has a molecular weight of 158.27 g/mol, XLogP of 0.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,5,6,8,8a-hexahydroimidazo[5,1-c][1,4]thiazine is sourced from PubChem (CID 129098843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).