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

C7H12N2O2S — CID 43148977

IUPACmethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
SMILESCOC(=O)CNC1=NCCCS1
InChIInChI=1S/C7H12N2O2S/c1-11-6(10)5-9-7-8-3-2-4-12-7/h2-5H2,1H3,(H,8,9)
InChIKeyBQLWNGNNAYCSLI-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.24
Rot. Bonds2

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

methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate (PubChem CID 43148977) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
PubChem CID43148977
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Namemethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate
SMILESCOC(=O)CNC1=NCCCS1
InChIInChI=1S/C7H12N2O2S/c1-11-6(10)5-9-7-8-3-2-4-12-7/h2-5H2,1H3,(H,8,9)
InChIKeyBQLWNGNNAYCSLI-UHFFFAOYSA-N
XLogP0.24
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 60810827
Methyl 2-methylimino-1,3-thiazolidine-4-carboxylate
CID 135829631
2-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]acetic acid
CID 4052731
2-[[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
CID 27235629
2-[[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino]acetic acid
CID 27235631
Methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
CID 29068218
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-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61498976
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
CID 61499343
Methyl 2-[(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoate
CID 61499344

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate?
The IUPAC name of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate (CID 43148977) is methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate?
The canonical SMILES for methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate is COC(=O)CNC1=NCCCS1.
What is the InChIKey of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate?
The InChIKey is BQLWNGNNAYCSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-11-6(10)5-9-7-8-3-2-4-12-7/h2-5H2,1H3,(H,8,9).
What are the key properties of methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate?
methyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetate has a molecular weight of 188.25 g/mol, XLogP of 0.24, 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)acetate is sourced from PubChem (CID 43148977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).