methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate

C6H10N2O2S — CID 29068218

IUPACmethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
SMILESCOC(=O)CNC1=NCCS1
InChIInChI=1S/C6H10N2O2S/c1-10-5(9)4-8-6-7-2-3-11-6/h2-4H2,1H3,(H,7,8)
InChIKeyKVWYCYFWSYPMIT-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.15
Rot. Bonds2

About methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate

methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate (PubChem CID 29068218) has the molecular formula C6H10N2O2S and a molecular weight of 174.22 g/mol. Its IUPAC name is methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
PubChem CID29068218
Molecular FormulaC6H10N2O2S
Molecular Weight174.22 g/mol
Exact Mass174.05
IUPAC Namemethyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate
SMILESCOC(=O)CNC1=NCCS1
InChIInChI=1S/C6H10N2O2S/c1-10-5(9)4-8-6-7-2-3-11-6/h2-4H2,1H3,(H,7,8)
InChIKeyKVWYCYFWSYPMIT-UHFFFAOYSA-N
XLogP-0.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate?
The IUPAC name of methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate (CID 29068218) is methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate?
The canonical SMILES for methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate is COC(=O)CNC1=NCCS1.
What is the InChIKey of methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate?
The InChIKey is KVWYCYFWSYPMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c1-10-5(9)4-8-6-7-2-3-11-6/h2-4H2,1H3,(H,7,8).
What are the key properties of methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate?
methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate has a molecular weight of 174.22 g/mol, XLogP of -0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dihydro-1,3-thiazol-2-ylamino)acetate is sourced from PubChem (CID 29068218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).