methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate

C10H9NO3S — CID 1280533

IUPACmethyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccco2)csc1N
InChIInChI=1S/C10H9NO3S/c1-13-10(12)8-6(5-15-9(8)11)7-3-2-4-14-7/h2-5H,11H2,1H3
InChIKeyWTZRPPAFHJSSHC-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.38
Rot. Bonds2

About methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate

methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate (PubChem CID 1280533) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate
PubChem CID1280533
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Namemethyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccco2)csc1N
InChIInChI=1S/C10H9NO3S/c1-13-10(12)8-6(5-15-9(8)11)7-3-2-4-14-7/h2-5H,11H2,1H3
InChIKeyWTZRPPAFHJSSHC-UHFFFAOYSA-N
XLogP2.38
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate?
The IUPAC name of methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate (CID 1280533) is methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate is COC(=O)c1c(-c2ccco2)csc1N.
What is the InChIKey of methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate?
The InChIKey is WTZRPPAFHJSSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-13-10(12)8-6(5-15-9(8)11)7-3-2-4-14-7/h2-5H,11H2,1H3.
What are the key properties of methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate?
methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(furan-2-yl)thiophene-3-carboxylate is sourced from PubChem (CID 1280533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).