2-(carbamoylamino)thiophene-3-carboxylic acid

C6H6N2O3S — CID 15829710

IUPAC2-(carbamoylamino)thiophene-3-carboxylic acid
SMILESNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C6H6N2O3S/c7-6(11)8-4-3(5(9)10)1-2-12-4/h1-2H,(H,9,10)(H3,7,8,11)
InChIKeyWNJOMSKGECUMES-UHFFFAOYSA-N
MW186.19 g/mol
LogP0.94
Rot. Bonds2

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

2-(carbamoylamino)thiophene-3-carboxylic acid (PubChem CID 15829710) has the molecular formula C6H6N2O3S and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-(carbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(carbamoylamino)thiophene-3-carboxylic acid
PubChem CID15829710
Molecular FormulaC6H6N2O3S
Molecular Weight186.19 g/mol
Exact Mass186.01
IUPAC Name2-(carbamoylamino)thiophene-3-carboxylic acid
SMILESNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C6H6N2O3S/c7-6(11)8-4-3(5(9)10)1-2-12-4/h1-2H,(H,9,10)(H3,7,8,11)
InChIKeyWNJOMSKGECUMES-UHFFFAOYSA-N
XLogP0.94
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(carbamoylamino)thiophene-3-carboxylic acid (CID 15829710) is 2-(carbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(carbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(carbamoylamino)thiophene-3-carboxylic acid is NC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(carbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is WNJOMSKGECUMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3S/c7-6(11)8-4-3(5(9)10)1-2-12-4/h1-2H,(H,9,10)(H3,7,8,11).
What are the key properties of 2-(carbamoylamino)thiophene-3-carboxylic acid?
2-(carbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 186.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 15829710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).