2-(ethylcarbamoylamino)thiophene-3-carboxylic acid

C8H10N2O3S — CID 43164837

IUPAC2-(ethylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-2-9-8(13)10-6-5(7(11)12)3-4-14-6/h3-4H,2H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyFAAQTAGIHORCCD-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.59
Rot. Bonds3

About 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid

2-(ethylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 43164837) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID43164837
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(ethylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C8H10N2O3S/c1-2-9-8(13)10-6-5(7(11)12)3-4-14-6/h3-4H,2H2,1H3,(H,11,12)(H2,9,10,13)
InChIKeyFAAQTAGIHORCCD-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid (CID 43164837) is 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid is CCNC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is FAAQTAGIHORCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-2-9-8(13)10-6-5(7(11)12)3-4-14-6/h3-4H,2H2,1H3,(H,11,12)(H2,9,10,13).
What are the key properties of 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid?
2-(ethylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 43164837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).