methyl 2-(1,3-thiazol-2-ylamino)propanoate

C7H10N2O2S — CID 14585564

IUPACmethyl 2-(1,3-thiazol-2-ylamino)propanoate
SMILESCOC(=O)C(C)Nc1nccs1
InChIInChI=1S/C7H10N2O2S/c1-5(6(10)11-2)9-7-8-3-4-12-7/h3-5H,1-2H3,(H,8,9)
InChIKeyQKYXPXOJJFKYAS-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.12
Rot. Bonds3

About methyl 2-(1,3-thiazol-2-ylamino)propanoate

methyl 2-(1,3-thiazol-2-ylamino)propanoate (PubChem CID 14585564) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-2-ylamino)propanoate
PubChem CID14585564
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-(1,3-thiazol-2-ylamino)propanoate
SMILESCOC(=O)C(C)Nc1nccs1
InChIInChI=1S/C7H10N2O2S/c1-5(6(10)11-2)9-7-8-3-4-12-7/h3-5H,1-2H3,(H,8,9)
InChIKeyQKYXPXOJJFKYAS-UHFFFAOYSA-N
XLogP1.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazol-2-ylamino)propanoate?
The IUPAC name of methyl 2-(1,3-thiazol-2-ylamino)propanoate (CID 14585564) is methyl 2-(1,3-thiazol-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-(1,3-thiazol-2-ylamino)propanoate?
The canonical SMILES for methyl 2-(1,3-thiazol-2-ylamino)propanoate is COC(=O)C(C)Nc1nccs1.
What is the InChIKey of methyl 2-(1,3-thiazol-2-ylamino)propanoate?
The InChIKey is QKYXPXOJJFKYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-5(6(10)11-2)9-7-8-3-4-12-7/h3-5H,1-2H3,(H,8,9).
What are the key properties of methyl 2-(1,3-thiazol-2-ylamino)propanoate?
methyl 2-(1,3-thiazol-2-ylamino)propanoate has a molecular weight of 186.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-2-ylamino)propanoate is sourced from PubChem (CID 14585564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).