methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate

C14H17NO2S2 — CID 65239076

IUPACmethyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate
SMILESCCc1c(-c2cc(C)c(C)s2)sc(C(=O)OC)c1N
InChIInChI=1S/C14H17NO2S2/c1-5-9-11(15)13(14(16)17-4)19-12(9)10-6-7(2)8(3)18-10/h6H,5,15H2,1-4H3
InChIKeyGFNGKTRSDDIDJN-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.02
Rot. Bonds3

About methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate

methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate (PubChem CID 65239076) has the molecular formula C14H17NO2S2 and a molecular weight of 295.43 g/mol. Its IUPAC name is methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate
PubChem CID65239076
Molecular FormulaC14H17NO2S2
Molecular Weight295.43 g/mol
Exact Mass295.07
IUPAC Namemethyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate
SMILESCCc1c(-c2cc(C)c(C)s2)sc(C(=O)OC)c1N
InChIInChI=1S/C14H17NO2S2/c1-5-9-11(15)13(14(16)17-4)19-12(9)10-6-7(2)8(3)18-10/h6H,5,15H2,1-4H3
InChIKeyGFNGKTRSDDIDJN-UHFFFAOYSA-N
XLogP4.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate (CID 65239076) is methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate is CCc1c(-c2cc(C)c(C)s2)sc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate?
The InChIKey is GFNGKTRSDDIDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S2/c1-5-9-11(15)13(14(16)17-4)19-12(9)10-6-7(2)8(3)18-10/h6H,5,15H2,1-4H3.
What are the key properties of methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate?
methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate has a molecular weight of 295.43 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-ethylthiophene-2-carboxylate is sourced from PubChem (CID 65239076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).