methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate

C10H18N2O2S — CID 115361315

IUPACmethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
SMILESCOC(=O)CCNC1=NCC(C)(C)CS1
InChIInChI=1S/C10H18N2O2S/c1-10(2)6-12-9(15-7-10)11-5-4-8(13)14-3/h4-7H2,1-3H3,(H,11,12)
InChIKeyRYRXVAIBOSTUQF-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.27
Rot. Bonds3

About methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate

methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate (PubChem CID 115361315) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
PubChem CID115361315
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Namemethyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate
SMILESCOC(=O)CCNC1=NCC(C)(C)CS1
InChIInChI=1S/C10H18N2O2S/c1-10(2)6-12-9(15-7-10)11-5-4-8(13)14-3/h4-7H2,1-3H3,(H,11,12)
InChIKeyRYRXVAIBOSTUQF-UHFFFAOYSA-N
XLogP1.27
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]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 3-[(5-formyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 123541293
2-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanyl]acetate
CID 7280515
methyl 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61295193
Methyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61295194
Methyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61295197
ethyl 3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61960676
Ethyl 3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanoate
CID 61960677
Ethyl 3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61960867
Methyl 3-[(5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 63296568
methyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
CID 65036368
ethyl 3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
CID 65036618
Ethyl 2-(butylamino)-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 101899397

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate (CID 115361315) is methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate is COC(=O)CCNC1=NCC(C)(C)CS1.
What is the InChIKey of methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
The InChIKey is RYRXVAIBOSTUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(2)6-12-9(15-7-10)11-5-4-8(13)14-3/h4-7H2,1-3H3,(H,11,12).
What are the key properties of methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate?
methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate has a molecular weight of 230.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]propanoate is sourced from PubChem (CID 115361315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).