methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate

C11H11NO3S — CID 43155482

IUPACmethyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(C)o2)cc1N
InChIInChI=1S/C11H11NO3S/c1-6-3-4-8(15-6)9-5-7(12)10(16-9)11(13)14-2/h3-5H,12H2,1-2H3
InChIKeyAQARWZVMPDMYJB-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.69
Rot. Bonds2

About methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate

methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate (PubChem CID 43155482) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate
PubChem CID43155482
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Namemethyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccc(C)o2)cc1N
InChIInChI=1S/C11H11NO3S/c1-6-3-4-8(15-6)9-5-7(12)10(16-9)11(13)14-2/h3-5H,12H2,1-2H3
InChIKeyAQARWZVMPDMYJB-UHFFFAOYSA-N
XLogP2.69
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-(4-iodophenyl)thiophene-2-carboxylate
CID 43155534
ethyl 3-amino-5-(furan-2-yl)thiophene-2-carboxylate
CID 43155551
methyl 3-amino-5-(4-cyanophenyl)thiophene-2-carboxylate
CID 11994774
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
methyl 3-amino-5-(2-chloro-6-fluorophenyl)thiophene-2-carboxylate
CID 43155527
methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate
CID 45089587
3-amino-5-(5-bromofuran-2-yl)thiophene-2-carboxylic acid
CID 83037008
methyl 3-amino-5-(4-bromo-3-chlorophenyl)thiophene-2-carboxylate
CID 81294950
methyl 3-amino-5-(5-bromo-2-fluorophenyl)thiophene-2-carboxylate
CID 43155528
methyl 3-amino-5-[2-(trifluoromethyl)phenyl]thiophene-2-carboxylate
CID 43155499
methyl 3-amino-5-(3-chloro-2-fluorophenyl)thiophene-2-carboxylate
CID 81266303
methyl 4-chloro-2-[1-(5-methylfuran-2-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 61478614

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate (CID 43155482) is methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate is COC(=O)c1sc(-c2ccc(C)o2)cc1N.
What is the InChIKey of methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate?
The InChIKey is AQARWZVMPDMYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c1-6-3-4-8(15-6)9-5-7(12)10(16-9)11(13)14-2/h3-5H,12H2,1-2H3.
What are the key properties of methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate?
methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate has a molecular weight of 237.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(5-methylfuran-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 43155482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).