methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate

C11H14N2O3S — CID 154751859

IUPACmethyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)NC2CC2)c1C
InChIInChI=1S/C11H14N2O3S/c1-6-8(10(14)16-2)5-17-9(6)13-11(15)12-7-3-4-7/h5,7H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyGCQDKJLDKRICTP-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.13
Rot. Bonds3

About methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate

methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate (PubChem CID 154751859) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate
PubChem CID154751859
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Namemethyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate
SMILESCOC(=O)c1csc(NC(=O)NC2CC2)c1C
InChIInChI=1S/C11H14N2O3S/c1-6-8(10(14)16-2)5-17-9(6)13-11(15)12-7-3-4-7/h5,7H,3-4H2,1-2H3,(H2,12,13,15)
InChIKeyGCQDKJLDKRICTP-UHFFFAOYSA-N
XLogP2.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclobutylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 134366408
dimethyl 3-methylthiophene-2,4-dicarboxylate
CID 673684
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
methyl 4-methyl-5-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]thiophene-3-carboxylate
CID 75400918
methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate
CID 112999833
5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid
CID 174956541
5-acetamido-4-methylthiophene-3-carboxylic acid
CID 163453655
methyl 4-[(4-methylcyclohexyl)carbamoylamino]benzoate
CID 17217884
1-[3-(aminomethyl)thiophen-2-yl]-3-cyclopropylurea
CID 82508319
methyl 2-[2-(cyclopropylcarbamoylamino)-1,3-thiazol-4-yl]acetate
CID 47197345
ethyl 2-(cyclobutylcarbamoylamino)-5-ethylthiophene-3-carboxylate
CID 116658706
ethyl 2-[(2-methoxycyclopropyl)carbamoylamino]-4-methylthiophene-3-carboxylate
CID 134366435

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate?
The IUPAC name of methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate (CID 154751859) is methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate.
What is the SMILES notation for methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate?
The canonical SMILES for methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate is COC(=O)c1csc(NC(=O)NC2CC2)c1C.
What is the InChIKey of methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate?
The InChIKey is GCQDKJLDKRICTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-6-8(10(14)16-2)5-17-9(6)13-11(15)12-7-3-4-7/h5,7H,3-4H2,1-2H3,(H2,12,13,15).
What are the key properties of methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate?
methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 154751859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).