methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate

C8H14N2O2S — CID 61499343

IUPACmethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
SMILESCOC(=O)C(C)NC1=NCCCS1
InChIInChI=1S/C8H14N2O2S/c1-6(7(11)12-2)10-8-9-4-3-5-13-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyRWSSYXZSZLSYKJ-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.63
Rot. Bonds2

About methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate

methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate (PubChem CID 61499343) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
PubChem CID61499343
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Namemethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
SMILESCOC(=O)C(C)NC1=NCCCS1
InChIInChI=1S/C8H14N2O2S/c1-6(7(11)12-2)10-8-9-4-3-5-13-8/h6H,3-5H2,1-2H3,(H,9,10)
InChIKeyRWSSYXZSZLSYKJ-UHFFFAOYSA-N
XLogP0.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate 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

Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate
CID 135829631
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate;molecular iodine
CID 161321709
Methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 29068218
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
CID 43148977
Methyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 43439915
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
CID 60810828
Ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetate
CID 60810970
Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61498975
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61498976
Ethyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61498977
Ethyl 2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499026
Ethyl 2-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499027

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate?
The IUPAC name of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate (CID 61499343) is methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate?
The canonical SMILES for methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate is COC(=O)C(C)NC1=NCCCS1.
What is the InChIKey of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate?
The InChIKey is RWSSYXZSZLSYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-6(7(11)12-2)10-8-9-4-3-5-13-8/h6H,3-5H2,1-2H3,(H,9,10).
What are the key properties of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate?
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate has a molecular weight of 202.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate is sourced from PubChem (CID 61499343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).