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

C9H12N2O4S — CID 14962248

IUPACethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)OC)n1
InChIInChI=1S/C9H12N2O4S/c1-3-15-7(12)4-6-5-16-8(10-6)11-9(13)14-2/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyXMYYTHZKSRRKMJ-UHFFFAOYSA-N
MW244.27 g/mol
LogP1.43
Rot. Bonds4

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

ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 14962248) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID14962248
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Nameethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)OC)n1
InChIInChI=1S/C9H12N2O4S/c1-3-15-7(12)4-6-5-16-8(10-6)11-9(13)14-2/h5H,3-4H2,1-2H3,(H,10,11,13)
InChIKeyXMYYTHZKSRRKMJ-UHFFFAOYSA-N
XLogP1.43
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate (CID 14962248) is ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)OC)n1.
What is the InChIKey of ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is XMYYTHZKSRRKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-3-15-7(12)4-6-5-16-8(10-6)11-9(13)14-2/h5H,3-4H2,1-2H3,(H,10,11,13).
What are the key properties of ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 244.27 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methoxycarbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 14962248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).