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

C11H20N2O2S — CID 83186583

IUPACmethyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate
SMILESCOC(=O)C(NC1=NC(C)CCS1)C(C)C
InChIInChI=1S/C11H20N2O2S/c1-7(2)9(10(14)15-4)13-11-12-8(3)5-6-16-11/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyIYSWLFJUGUHWAA-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.65
Rot. Bonds3

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

methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate (PubChem CID 83186583) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate
PubChem CID83186583
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Namemethyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate
SMILESCOC(=O)C(NC1=NC(C)CCS1)C(C)C
InChIInChI=1S/C11H20N2O2S/c1-7(2)9(10(14)15-4)13-11-12-8(3)5-6-16-11/h7-9H,5-6H2,1-4H3,(H,12,13)
InChIKeyIYSWLFJUGUHWAA-UHFFFAOYSA-N
XLogP1.65
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanoate
CID 113484290
2-[(4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-3-methylbutanamide
CID 106346337
3-(4,5-dihydro-1,3-thiazol-2-ylamino)-4-methylpentan-2-one
CID 77342521
1-[4-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]phenyl]ethanone
CID 83188479
ethyl 2-[(4-tert-butyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]propanoate
CID 114177193
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
methyl 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-3-methylbutanoate
CID 79364176
methyl 3-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65268355
N-(2-methoxy-5-methylphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187934
methyl 3-methyl-2-[(3-methylcyclobutyl)amino]butanoate
CID 103561043
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]-3-methylbutanoate
CID 114999989

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate (CID 83186583) is methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate is COC(=O)C(NC1=NC(C)CCS1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate?
The InChIKey is IYSWLFJUGUHWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(2)9(10(14)15-4)13-11-12-8(3)5-6-16-11/h7-9H,5-6H2,1-4H3,(H,12,13).
What are the key properties of methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate?
methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate has a molecular weight of 244.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]butanoate is sourced from PubChem (CID 83186583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).