5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid

C14H10N2O3S2 — CID 43474607

IUPAC5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2sccc2-n2cccc2)s1
InChIInChI=1S/C14H10N2O3S2/c17-13(15-11-4-3-10(21-11)14(18)19)12-9(5-8-20-12)16-6-1-2-7-16/h1-8H,(H,15,17)(H,18,19)
InChIKeyKFEBPERPNLKWRT-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.55
Rot. Bonds4

About 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid

5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43474607) has the molecular formula C14H10N2O3S2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43474607
Molecular FormulaC14H10N2O3S2
Molecular Weight318.38 g/mol
Exact Mass318.01
IUPAC Name5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2sccc2-n2cccc2)s1
InChIInChI=1S/C14H10N2O3S2/c17-13(15-11-4-3-10(21-11)14(18)19)12-9(5-8-20-12)16-6-1-2-7-16/h1-8H,(H,15,17)(H,18,19)
InChIKeyKFEBPERPNLKWRT-UHFFFAOYSA-N
XLogP3.55
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-pyrrol-1-yl)thiophene-2-carboxylic acid
CID 2776534
5-[[1-(2,2,2-Trifluoroethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608675
5-[[1-(2,2-Difluoroethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608678
3-(2-Ethylpyrrol-1-yl)thiophene-2-carboxylic acid
CID 129909669
3-(Pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 16773059
3-(2-Methylpyrrol-1-yl)thiophene-2-carboxylic acid
CID 151261243
5-(4-Pyrrol-1-ylpiperidin-1-yl)thiophene-2-carboxylic acid
CID 174950438
3-[2-(Hydroxymethyl)pyrrol-1-yl]thiophene-2-carboxamide
CID 10775392
3-Methyl-5-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 16775434
Ethyl 3-methyl-5-[[2-(3-pyrrol-1-ylthiophene-2-carbonyl)oxyacetyl]amino]thiophene-2-carboxylate
CID 18207115
3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]thiophene-2-carboxylic acid
CID 43171744
3-[(2-Pyridin-4-ylsulfanylacetyl)amino]thiophene-2-carboxylic acid
CID 43171769

Frequently Asked Questions

What is the IUPAC name of 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid (CID 43474607) is 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2sccc2-n2cccc2)s1.
What is the InChIKey of 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is KFEBPERPNLKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3S2/c17-13(15-11-4-3-10(21-11)14(18)19)12-9(5-8-20-12)16-6-1-2-7-16/h1-8H,(H,15,17)(H,18,19).
What are the key properties of 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid?
5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 318.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).