2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid

C13H14N2O3S2 — CID 63114746

IUPAC2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H14N2O3S2/c1-8(6-9-2-4-19-7-9)14-13(18)15-11-10(12(16)17)3-5-20-11/h2-5,7-8H,6H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyPNGKPTUZGTXJIR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.26
Rot. Bonds5

About 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid

2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 63114746) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID63114746
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCC(Cc1ccsc1)NC(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H14N2O3S2/c1-8(6-9-2-4-19-7-9)14-13(18)15-11-10(12(16)17)3-5-20-11/h2-5,7-8H,6H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyPNGKPTUZGTXJIR-UHFFFAOYSA-N
XLogP3.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.26
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-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 83186689
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-[1-(diethylamino)propan-2-ylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114786
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
(2R)-3,3-dimethyl-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 103927769
2-(3,3-dimethylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113457894
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63114238
2-hydroxy-3-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)propanoic acid
CID 66165511
4-hydroxy-2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61475780
2-(1-phenylpropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114756
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid (CID 63114746) is 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid is CC(Cc1ccsc1)NC(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is PNGKPTUZGTXJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-8(6-9-2-4-19-7-9)14-13(18)15-11-10(12(16)17)3-5-20-11/h2-5,7-8H,6H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 310.40 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-3-ylpropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63114746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).