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

C12H12N2O3S2 — CID 702932

IUPACethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C12H12N2O3S2/c1-2-17-10(15)6-8-7-19-12(13-8)14-11(16)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,13,14,16)
InChIKeyHBYYVOLROLMNNA-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.56
Rot. Bonds5

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

ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 702932) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID702932
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Nameethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C12H12N2O3S2/c1-2-17-10(15)6-8-7-19-12(13-8)14-11(16)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,13,14,16)
InChIKeyHBYYVOLROLMNNA-UHFFFAOYSA-N
XLogP2.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 702932) is ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is HBYYVOLROLMNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-2-17-10(15)6-8-7-19-12(13-8)14-11(16)9-4-3-5-18-9/h3-5,7H,2,6H2,1H3,(H,13,14,16).
What are the key properties of ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 296.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 702932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).