2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid

C13H21N3O3S — CID 63114786

IUPAC2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H21N3O3S/c1-4-16(5-2)8-9(3)14-13(19)15-11-10(12(17)18)6-7-20-11/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyFVSNGNKPLWEANP-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.30
Rot. Bonds7

About 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid

2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63114786) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid
PubChem CID63114786
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H21N3O3S/c1-4-16(5-2)8-9(3)14-13(19)15-11-10(12(17)18)6-7-20-11/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyFVSNGNKPLWEANP-UHFFFAOYSA-N
XLogP2.30
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113828
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 83186689
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114746
2-[3-(diethylamino)propylcarbamoylamino]thiophene-3-carboxylic acid
CID 63113433
2-(3,3-dimethylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113457894
2-(1-methylsulfanylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113494919
2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114756
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009
2-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoylamino]thiophene-3-carboxylic acid
CID 63114207
2-[[(1R)-1-(4-methylphenyl)ethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81349543
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114238

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid (CID 63114786) is 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid is CCN(CC)CC(C)NC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is FVSNGNKPLWEANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-16(5-2)8-9(3)14-13(19)15-11-10(12(17)18)6-7-20-11/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid?
2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 299.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).