2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid

C12H18N2O3S — CID 69438852

IUPAC2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid
SMILESCCCc1csc(NC(=O)NC(C)C)c1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-4-5-8-6-18-10(9(8)11(15)16)14-12(17)13-7(2)3/h6-7H,4-5H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyFYGPXMAZYMEZEJ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.93
Rot. Bonds5

About 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid

2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid (PubChem CID 69438852) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid
PubChem CID69438852
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid
SMILESCCCc1csc(NC(=O)NC(C)C)c1C(=O)O
InChIInChI=1S/C12H18N2O3S/c1-4-5-8-6-18-10(9(8)11(15)16)14-12(17)13-7(2)3/h6-7H,4-5H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyFYGPXMAZYMEZEJ-UHFFFAOYSA-N
XLogP2.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid?
The IUPAC name of 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid (CID 69438852) is 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid is CCCc1csc(NC(=O)NC(C)C)c1C(=O)O.
What is the InChIKey of 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid?
The InChIKey is FYGPXMAZYMEZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-5-8-6-18-10(9(8)11(15)16)14-12(17)13-7(2)3/h6-7H,4-5H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid?
2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid has a molecular weight of 270.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid is sourced from PubChem (CID 69438852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).