3-(diethylcarbamoylamino)thiophene-2-carboxylic acid

C10H14N2O3S — CID 45266957

IUPAC3-(diethylcarbamoylamino)thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-3-12(4-2)10(15)11-7-5-6-16-8(7)9(13)14/h5-6H,3-4H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyPTXBUMPCMGKEAI-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.32
Rot. Bonds4

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

3-(diethylcarbamoylamino)thiophene-2-carboxylic acid (PubChem CID 45266957) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(diethylcarbamoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(diethylcarbamoylamino)thiophene-2-carboxylic acid
PubChem CID45266957
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-(diethylcarbamoylamino)thiophene-2-carboxylic acid
SMILESCCN(CC)C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-3-12(4-2)10(15)11-7-5-6-16-8(7)9(13)14/h5-6H,3-4H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyPTXBUMPCMGKEAI-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-[(cyclohexylcarbamoyl)amino]thiophene-2-carboxylate
CID 896453
Methyl 3-[(piperidin-1-ylcarbonothioyl)amino]thiophene-2-carboxylate
CID 9551121
Methyl 3-[(4-ethylpiperazine-1-carbothioyl)amino]thiophene-2-carboxylate
CID 16193786
Methyl 3-{[(4-methylpiperazin-1-yl)carbonothioyl]amino}thiophene-2-carboxylate
CID 16193936
3-(3,3-Dimethyl-2-oxo-1-azetanyl)-2-thiophenecarboxylic acid
CID 3815065
Methyl 3-[(propylcarbamoyl)amino]thiophene-2-carboxylate
CID 16189699
3-Acetamidothiophene-2-carboxylic acid
CID 2807579
2-thiophenecarboxylic acid, 3-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-, 2-methyl ester
CID 5885161
Methyl 3-{[butyl(methyl)carbamothioyl]amino}thiophene-2-carboxylate
CID 16193842
3-(tert-Butoxycarbonylamino)thiophene-2-carboxylic Acid
CID 2756772
3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic Acid
CID 2740122
2-[({[2-(Methoxycarbonyl)thiophen-3-yl]carbamoyl}methyl)sulfanyl]acetic acid
CID 2809526

Frequently Asked Questions

What is the IUPAC name of 3-(diethylcarbamoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(diethylcarbamoylamino)thiophene-2-carboxylic acid (CID 45266957) is 3-(diethylcarbamoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(diethylcarbamoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(diethylcarbamoylamino)thiophene-2-carboxylic acid is CCN(CC)C(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-(diethylcarbamoylamino)thiophene-2-carboxylic acid?
The InChIKey is PTXBUMPCMGKEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-12(4-2)10(15)11-7-5-6-16-8(7)9(13)14/h5-6H,3-4H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 3-(diethylcarbamoylamino)thiophene-2-carboxylic acid?
3-(diethylcarbamoylamino)thiophene-2-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylcarbamoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 45266957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).