tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate

C15H19NO3S — CID 116687017

IUPACtert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate
SMILESCc1cc(-c2cc(N)c(C(=O)OC(C)(C)C)s2)c(C)o1
InChIInChI=1S/C15H19NO3S/c1-8-6-10(9(2)18-8)12-7-11(16)13(20-12)14(17)19-15(3,4)5/h6-7H,16H2,1-5H3
InChIKeyFELDALPJLNTIDZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.16
Rot. Bonds2

About tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate

tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate (PubChem CID 116687017) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate
PubChem CID116687017
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Nametert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate
SMILESCc1cc(-c2cc(N)c(C(=O)OC(C)(C)C)s2)c(C)o1
InChIInChI=1S/C15H19NO3S/c1-8-6-10(9(2)18-8)12-7-11(16)13(20-12)14(17)19-15(3,4)5/h6-7H,16H2,1-5H3
InChIKeyFELDALPJLNTIDZ-UHFFFAOYSA-N
XLogP4.16
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-amino-5-(2,4,5-trimethylfuran-3-yl)thiophene-2-carboxylate
CID 116687098
tert-butyl 3-amino-5-(2-methylsulfanylphenyl)thiophene-2-carboxylate
CID 116687113
tert-butyl 3-amino-5-(2,4-difluorophenyl)thiophene-2-carboxylate
CID 116687077
tert-butyl 3-amino-5-(3-methylthiophen-2-yl)thiophene-2-carboxylate
CID 116687089
methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate
CID 43155482
ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
CID 79807771
tert-butyl 3-amino-5-(4,5-dimethylthiophen-2-yl)-4-methylthiophene-2-carboxylate
CID 116687171
methyl 3-amino-5-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43155499
ditert-butyl 5-aminobenzene-1,3-dicarboxylate
CID 24728886
tert-butyl 5-(aminomethyl)-3-chlorothiophene-2-carboxylate
CID 67395535
3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid
CID 82302278
tert-butyl 3-amino-5-hydroxy-2-methylbenzoate
CID 133056466

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate?
The IUPAC name of tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate (CID 116687017) is tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate?
The canonical SMILES for tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate is Cc1cc(-c2cc(N)c(C(=O)OC(C)(C)C)s2)c(C)o1.
What is the InChIKey of tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate?
The InChIKey is FELDALPJLNTIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-8-6-10(9(2)18-8)12-7-11(16)13(20-12)14(17)19-15(3,4)5/h6-7H,16H2,1-5H3.
What are the key properties of tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate?
tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate has a molecular weight of 293.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-5-(2,5-dimethylfuran-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 116687017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).