ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate

C11H12ClN3O2S — CID 70313707

IUPACethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc(Cl)s2)nc1N
InChIInChI=1S/C11H12ClN3O2S/c1-2-17-10(16)6-15-5-7(14-11(15)13)8-3-4-9(12)18-8/h3-5H,2,6H2,1H3,(H2,13,14)
InChIKeyNDKZXHZBLOKGTA-UHFFFAOYSA-N
MW285.76 g/mol
LogP2.41
Rot. Bonds4

About ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate

ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate (PubChem CID 70313707) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate
PubChem CID70313707
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC Nameethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2ccc(Cl)s2)nc1N
InChIInChI=1S/C11H12ClN3O2S/c1-2-17-10(16)6-15-5-7(14-11(15)13)8-3-4-9(12)18-8/h3-5H,2,6H2,1H3,(H2,13,14)
InChIKeyNDKZXHZBLOKGTA-UHFFFAOYSA-N
XLogP2.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate (CID 70313707) is ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate is CCOC(=O)Cn1cc(-c2ccc(Cl)s2)nc1N.
What is the InChIKey of ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate?
The InChIKey is NDKZXHZBLOKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-2-17-10(16)6-15-5-7(14-11(15)13)8-3-4-9(12)18-8/h3-5H,2,6H2,1H3,(H2,13,14).
What are the key properties of ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate?
ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate has a molecular weight of 285.76 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-4-(5-chlorothiophen-2-yl)imidazol-1-yl]acetate is sourced from PubChem (CID 70313707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).