2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid

C12H12N2O3S2 — CID 81409009

IUPAC2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
SMILESC[C@@H](NC(=O)Nc1sccc1C(=O)O)c1cccs1
InChIInChI=1S/C12H12N2O3S2/c1-7(9-3-2-5-18-9)13-12(17)14-10-8(11(15)16)4-6-19-10/h2-7H,1H3,(H,15,16)(H2,13,14,17)/t7-/m1/s1
InChIKeyXTQONJPGHGZISW-SSDOTTSWSA-N
MW296.37 g/mol
LogP3.39
Rot. Bonds4

About 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid

2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 81409009) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
PubChem CID81409009
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
SMILESC[C@@H](NC(=O)Nc1sccc1C(=O)O)c1cccs1
InChIInChI=1S/C12H12N2O3S2/c1-7(9-3-2-5-18-9)13-12(17)14-10-8(11(15)16)4-6-19-10/h2-7H,1H3,(H,15,16)(H2,13,14,17)/t7-/m1/s1
InChIKeyXTQONJPGHGZISW-SSDOTTSWSA-N
XLogP3.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81410521
2-[[(1R)-1-(4-methylphenyl)ethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81349543
2-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81347210
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
2-(3,3-dimethylbutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 113457894
2-(5-methylhexan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113828
2-(4-hydroxybutan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 83186689
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
2-bromo-5-(1-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 115296717
2-(1-methoxypropan-2-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 55178855
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]thiophene-3-carboxylic acid
CID 63114260

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid (CID 81409009) is 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid is C[C@@H](NC(=O)Nc1sccc1C(=O)O)c1cccs1.
What is the InChIKey of 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is XTQONJPGHGZISW-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-7(9-3-2-5-18-9)13-12(17)14-10-8(11(15)16)4-6-19-10/h2-7H,1H3,(H,15,16)(H2,13,14,17)/t7-/m1/s1.
What are the key properties of 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid?
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 81409009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).