2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid

C6H10N2O2S — CID 115014306

IUPAC2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid
SMILESO=C(O)CNC1=NCCCS1
InChIInChI=1S/C6H10N2O2S/c9-5(10)4-8-6-7-2-1-3-11-6/h1-4H2,(H,7,8)(H,9,10)
InChIKeyIRNJXDUWGPWNSB-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.15
Rot. Bonds2

About 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid

2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid (PubChem CID 115014306) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid
PubChem CID115014306
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Name2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid
SMILESO=C(O)CNC1=NCCCS1
InChIInChI=1S/C6H10N2O2S/c9-5(10)4-8-6-7-2-1-3-11-6/h1-4H2,(H,7,8)(H,9,10)
InChIKeyIRNJXDUWGPWNSB-UHFFFAOYSA-N
XLogP0.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid?
The IUPAC name of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid (CID 115014306) is 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid.
What is the SMILES notation for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid?
The canonical SMILES for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid is O=C(O)CNC1=NCCCS1.
What is the InChIKey of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid?
The InChIKey is IRNJXDUWGPWNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c9-5(10)4-8-6-7-2-1-3-11-6/h1-4H2,(H,7,8)(H,9,10).
What are the key properties of 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid?
2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid has a molecular weight of 174.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)acetic acid is sourced from PubChem (CID 115014306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).