2-methyl-3,4-dihydro-2H-1,3-thiazine

C5H9NS — CID 123686569

IUPAC2-methyl-3,4-dihydro-2H-1,3-thiazine
SMILESCC1NCC=CS1
InChIInChI=1S/C5H9NS/c1-5-6-3-2-4-7-5/h2,4-6H,3H2,1H3
InChIKeyMJRLWIZWQCMCSD-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.18
Rot. Bonds

About 2-methyl-3,4-dihydro-2H-1,3-thiazine

2-methyl-3,4-dihydro-2H-1,3-thiazine (PubChem CID 123686569) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 2-methyl-3,4-dihydro-2H-1,3-thiazine.

Molecular Properties

Compound Name2-methyl-3,4-dihydro-2H-1,3-thiazine
PubChem CID123686569
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name2-methyl-3,4-dihydro-2H-1,3-thiazine
SMILESCC1NCC=CS1
InChIInChI=1S/C5H9NS/c1-5-6-3-2-4-7-5/h2,4-6H,3H2,1H3
InChIKeyMJRLWIZWQCMCSD-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3,4-dihydro-2H-1,3-thiazine with MolForge

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

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-1,3-thiazine
CID 19905276
2-Methylthio-dihydro-1,3-thiazine
CID 21416561
Tetrahydro-1,4-thiazepine
CID 58044730
Vinylthiazolidine
CID 90729878
1-(Prop-2-enylamino)propane-2-thiol
CID 10898753
4-Prop-2-enylthiomorpholin-4-ium
CID 52141751
1-(Prop-2-enylamino)ethanethiol
CID 57101483
2-methylsulfanyl-2,5-dihydro-1H-pyrrole
CID 58653710
2-Methylidene-3,4-dihydro-1,3-thiazine
CID 59114551
N-(2-ethylsulfanylethyl)prop-2-en-1-amine
CID 62576296
N-(2-methylsulfanylethyl)but-3-en-1-amine
CID 64314910
(6Z)-3,4,5,8-tetrahydro-2H-1,4-thiazocine
CID 68602709

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dihydro-2H-1,3-thiazine?
The IUPAC name of 2-methyl-3,4-dihydro-2H-1,3-thiazine (CID 123686569) is 2-methyl-3,4-dihydro-2H-1,3-thiazine.
What is the SMILES notation for 2-methyl-3,4-dihydro-2H-1,3-thiazine?
The canonical SMILES for 2-methyl-3,4-dihydro-2H-1,3-thiazine is CC1NCC=CS1.
What is the InChIKey of 2-methyl-3,4-dihydro-2H-1,3-thiazine?
The InChIKey is MJRLWIZWQCMCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-5-6-3-2-4-7-5/h2,4-6H,3H2,1H3.
What are the key properties of 2-methyl-3,4-dihydro-2H-1,3-thiazine?
2-methyl-3,4-dihydro-2H-1,3-thiazine has a molecular weight of 115.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dihydro-2H-1,3-thiazine is sourced from PubChem (CID 123686569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).