2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate

C13H15NO2S2 — CID 82056962

IUPAC2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCC(C)COC(=O)c1c(-c2cccs2)csc1N
InChIInChI=1S/C13H15NO2S2/c1-8(2)6-16-13(15)11-9(7-18-12(11)14)10-4-3-5-17-10/h3-5,7-8H,6,14H2,1-2H3
InChIKeySTZMESBCLIYUNO-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.87
Rot. Bonds4

About 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate

2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate (PubChem CID 82056962) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
PubChem CID82056962
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC Name2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
SMILESCC(C)COC(=O)c1c(-c2cccs2)csc1N
InChIInChI=1S/C13H15NO2S2/c1-8(2)6-16-13(15)11-9(7-18-12(11)14)10-4-3-5-17-10/h3-5,7-8H,6,14H2,1-2H3
InChIKeySTZMESBCLIYUNO-UHFFFAOYSA-N
XLogP3.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl 2-amino-4-pyridin-3-ylthiophene-3-carboxylate
CID 82056806
2-methylpropyl 2-amino-4-methylthiophene-3-carboxylate
CID 82056789
2-amino-N,N-dimethyl-4-thiophen-2-ylthiophene-3-carboxamide
CID 82056963
cyclohexyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate
CID 93203929
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
CID 8975423
ethyl 2-[[2-[2-(thiophene-2-carbonylamino)propanoyloxy]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 55484502
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-acetamido-4-thiophen-2-ylthiophene-3-carboxylate
CID 7791813
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
ethyl 2-amino-4-(5-chlorothiophen-2-yl)thiophene-3-carboxylate
CID 43438925
ethyl 4-thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]thiophene-3-carboxylate
CID 895440
ethyl 2-(4-aminobutanoylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 82034031
2-methylpropyl 2,6-difluorobenzoate
CID 587969

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
The IUPAC name of 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate (CID 82056962) is 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate.
What is the SMILES notation for 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
The canonical SMILES for 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate is CC(C)COC(=O)c1c(-c2cccs2)csc1N.
What is the InChIKey of 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
The InChIKey is STZMESBCLIYUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-8(2)6-16-13(15)11-9(7-18-12(11)14)10-4-3-5-17-10/h3-5,7-8H,6,14H2,1-2H3.
What are the key properties of 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate?
2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-amino-4-thiophen-2-ylthiophene-3-carboxylate is sourced from PubChem (CID 82056962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).