ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate

C12H12ClNO3S — CID 106688205

IUPACethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccoc2Cl)c(C)c1N
InChIInChI=1S/C12H12ClNO3S/c1-3-16-12(15)10-8(14)6(2)9(18-10)7-4-5-17-11(7)13/h4-5H,3,14H2,1-2H3
InChIKeyIKRDTKLBSFCMHY-UHFFFAOYSA-N
MW285.75 g/mol
LogP3.73
Rot. Bonds3

About ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate

ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate (PubChem CID 106688205) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate
PubChem CID106688205
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Nameethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccoc2Cl)c(C)c1N
InChIInChI=1S/C12H12ClNO3S/c1-3-16-12(15)10-8(14)6(2)9(18-10)7-4-5-17-11(7)13/h4-5H,3,14H2,1-2H3
InChIKeyIKRDTKLBSFCMHY-UHFFFAOYSA-N
XLogP3.73
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-5-(2,3-dimethylphenyl)-4-methylthiophene-2-carboxylate
CID 63398527
ethyl 3-amino-5-(3,5-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 63398439
ethyl 3-amino-5-(2-bromo-4-fluorophenyl)-4-methylthiophene-2-carboxylate
CID 63399083
methyl 3-amino-5-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 63398913
ethyl 3-amino-5-(5-methylthiophen-2-yl)-4-propan-2-ylthiophene-2-carboxylate
CID 63398487
ethyl 3-amino-5-carbamoyl-4-methylthiophene-2-carboxylate
CID 602876
ethyl 3-amino-5-(2,3-dimethylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398787
ethyl 3-amino-5-phenyl-4-propan-2-ylthiophene-2-carboxylate
CID 63399043
ethyl 3-amino-4-(furan-2-yl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 10756767
ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398785
ethyl 3-amino-5-(3-chloro-4-methylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398955
ethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 106685687

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate (CID 106688205) is ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccoc2Cl)c(C)c1N.
What is the InChIKey of ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate?
The InChIKey is IKRDTKLBSFCMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-3-16-12(15)10-8(14)6(2)9(18-10)7-4-5-17-11(7)13/h4-5H,3,14H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate?
ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate has a molecular weight of 285.75 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(2-chlorofuran-3-yl)-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 106688205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).