ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate

C10H14N2O4S — CID 717671

IUPACethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)OCC)n1
InChIInChI=1S/C10H14N2O4S/c1-3-15-8(13)5-7-6-17-9(11-7)12-10(14)16-4-2/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyHFPGBNGEUPMPST-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.82
Rot. Bonds5

About ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 717671) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID717671
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Nameethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)OCC)n1
InChIInChI=1S/C10H14N2O4S/c1-3-15-8(13)5-7-6-17-9(11-7)12-10(14)16-4-2/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyHFPGBNGEUPMPST-UHFFFAOYSA-N
XLogP1.82
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate (CID 717671) is ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)OCC)n1.
What is the InChIKey of ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is HFPGBNGEUPMPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-3-15-8(13)5-7-6-17-9(11-7)12-10(14)16-4-2/h6H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 258.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(ethoxycarbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 717671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).