methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

C13H18N2O3S — CID 81173155

IUPACmethyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2(N)CCC2)sc(C)c1C
InChIInChI=1S/C13H18N2O3S/c1-7-8(2)19-10(9(7)11(16)18-3)15-12(17)13(14)5-4-6-13/h4-6,14H2,1-3H3,(H,15,17)
InChIKeyJQVFBDQJNZAMLT-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.97
Rot. Bonds3

About methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 81173155) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID81173155
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Namemethyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2(N)CCC2)sc(C)c1C
InChIInChI=1S/C13H18N2O3S/c1-7-8(2)19-10(9(7)11(16)18-3)15-12(17)13(14)5-4-6-13/h4-6,14H2,1-3H3,(H,15,17)
InChIKeyJQVFBDQJNZAMLT-UHFFFAOYSA-N
XLogP1.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)cyclopropane-1-carboxamide
CID 65464284
methyl 4,5-dimethyl-2-[[2,2,3,3,4,4,5,5-octafluoro-6-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-6-oxohexanoyl]amino]thiophene-3-carboxylate
CID 4155191
2-[1-[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 39729130
methyl 2-[(2-amino-2-cyclopropylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 61260571
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 108808755
methyl 2-[(3-amino-2,2-dimethylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 115426626
methyl 2-[[2-(azocan-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 2655336
methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82344409
methyl 4,5-dimethyl-2-(oxane-4-carbonylamino)thiophene-3-carboxylate
CID 31965251
methyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8018665
methyl 4,5-dimethyl-2-[[(3R)-3-methylpiperidine-1-carbothioyl]amino]thiophene-3-carboxylate
CID 27516466
methyl 2-[(2-bromo-3-methylbutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 43167906

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate (CID 81173155) is methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)C2(N)CCC2)sc(C)c1C.
What is the InChIKey of methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is JQVFBDQJNZAMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-7-8(2)19-10(9(7)11(16)18-3)15-12(17)13(14)5-4-6-13/h4-6,14H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 282.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-aminocyclobutanecarbonyl)amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 81173155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).