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

C9H16N2O2S — CID 61498976

IUPACethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC1=NCCCS1
InChIInChI=1S/C9H16N2O2S/c1-3-13-8(12)7(2)11-9-10-5-4-6-14-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyJFHHFICKBWDVLO-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.02
Rot. Bonds3

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

ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate (PubChem CID 61498976) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
PubChem CID61498976
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Nameethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate
SMILESCCOC(=O)C(C)NC1=NCCCS1
InChIInChI=1S/C9H16N2O2S/c1-3-13-8(12)7(2)11-9-10-5-4-6-14-9/h7H,3-6H2,1-2H3,(H,10,11)
InChIKeyJFHHFICKBWDVLO-UHFFFAOYSA-N
XLogP1.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate?
The IUPAC name of ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate (CID 61498976) is ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate is CCOC(=O)C(C)NC1=NCCCS1.
What is the InChIKey of ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate?
The InChIKey is JFHHFICKBWDVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-3-13-8(12)7(2)11-9-10-5-4-6-14-9/h7H,3-6H2,1-2H3,(H,10,11).
What are the key properties of ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate?
ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate has a molecular weight of 216.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanoate is sourced from PubChem (CID 61498976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).