2-(propylcarbamoylamino)thiophene-3-carboxylic acid

C9H12N2O3S — CID 28786046

IUPAC2-(propylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-2-4-10-9(14)11-7-6(8(12)13)3-5-15-7/h3,5H,2,4H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyYVUAJBWHOHYHCZ-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.98
Rot. Bonds4

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

2-(propylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 28786046) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(propylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(propylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID28786046
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-(propylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCCCNC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C9H12N2O3S/c1-2-4-10-9(14)11-7-6(8(12)13)3-5-15-7/h3,5H,2,4H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyYVUAJBWHOHYHCZ-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(propylcarbamoylamino)thiophene-3-carboxylic acid (CID 28786046) is 2-(propylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(propylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(propylcarbamoylamino)thiophene-3-carboxylic acid is CCCNC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(propylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is YVUAJBWHOHYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-2-4-10-9(14)11-7-6(8(12)13)3-5-15-7/h3,5H,2,4H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(propylcarbamoylamino)thiophene-3-carboxylic acid?
2-(propylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 228.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 28786046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).