methyl 3-formamidothiophene-2-carboxylate

C7H7NO3S — CID 2777636

IUPACmethyl 3-formamidothiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC=O
InChIInChI=1S/C7H7NO3S/c1-11-7(10)6-5(8-4-9)2-3-12-6/h2-4H,1H3,(H,8,9)
InChIKeyLBYBTIGBOUMNTH-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.10
Rot. Bonds3

About methyl 3-formamidothiophene-2-carboxylate

methyl 3-formamidothiophene-2-carboxylate (PubChem CID 2777636) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is methyl 3-formamidothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-formamidothiophene-2-carboxylate
PubChem CID2777636
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Namemethyl 3-formamidothiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC=O
InChIInChI=1S/C7H7NO3S/c1-11-7(10)6-5(8-4-9)2-3-12-6/h2-4H,1H3,(H,8,9)
InChIKeyLBYBTIGBOUMNTH-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Methyl 3-amino-2-thiophenecarboxylate
CID 89652
Methyl 3-(2-(2-thienyl)acetamido)thiophene-2-carboxylate
CID 2808202
Thiophene-2-carboxylic acid, 3-(2-tert-butylsulfonyl-2-cyanoethenylamino)-, methyl ester
CID 2820262
Methyl 3-[(cyclohexylcarbamoyl)amino]thiophene-2-carboxylate
CID 896453
Methyl 3-(methoxycarbothioylamino)thiophene-2-carboxylate
CID 2808356
Methyl 3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate
CID 25116550
Methyl 3-[methyl(methylsulfonyl)amino]-2-thiophenecarboxylate
CID 586788
Methyl 3-[(cyclopropylcarbonyl)amino]-2-thiophenecarboxylate
CID 2808367
Methyl 3-(2-chloroacetamido)thiophene-2-carboxylate
CID 736568
Methyl 3-[2-(phenylsulfanyl)acetamido]thiophene-2-carboxylate
CID 2970705
Methyl 3-(2-thienylcarbonylamino)thiophene-2-carboxylate
CID 2807638
Methyl 3-{[2-(3-oxo-2-piperazinyl)acetyl]amino}thiophene-2-carboxylate
CID 2809627

Frequently Asked Questions

What is the IUPAC name of methyl 3-formamidothiophene-2-carboxylate?
The IUPAC name of methyl 3-formamidothiophene-2-carboxylate (CID 2777636) is methyl 3-formamidothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-formamidothiophene-2-carboxylate?
The canonical SMILES for methyl 3-formamidothiophene-2-carboxylate is COC(=O)c1sccc1NC=O.
What is the InChIKey of methyl 3-formamidothiophene-2-carboxylate?
The InChIKey is LBYBTIGBOUMNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c1-11-7(10)6-5(8-4-9)2-3-12-6/h2-4H,1H3,(H,8,9).
What are the key properties of methyl 3-formamidothiophene-2-carboxylate?
methyl 3-formamidothiophene-2-carboxylate has a molecular weight of 185.20 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-formamidothiophene-2-carboxylate is sourced from PubChem (CID 2777636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).