5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid

C11H7N5O3S2 — CID 43474473

IUPAC5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2sccc2-n2cnnn2)s1
InChIInChI=1S/C11H7N5O3S2/c17-10(13-8-2-1-7(21-8)11(18)19)9-6(3-4-20-9)16-5-12-14-15-16/h1-5H,(H,13,17)(H,18,19)
InChIKeyLDUHUBXHJFQNOM-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.74
Rot. Bonds4

About 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid

5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid (PubChem CID 43474473) has the molecular formula C11H7N5O3S2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid
PubChem CID43474473
Molecular FormulaC11H7N5O3S2
Molecular Weight321.34 g/mol
Exact Mass321.00
IUPAC Name5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2sccc2-n2cnnn2)s1
InChIInChI=1S/C11H7N5O3S2/c17-10(13-8-2-1-7(21-8)11(18)19)9-6(3-4-20-9)16-5-12-14-15-16/h1-5H,(H,13,17)(H,18,19)
InChIKeyLDUHUBXHJFQNOM-UHFFFAOYSA-N
XLogP1.74
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid (CID 43474473) is 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid is O=C(O)c1ccc(NC(=O)c2sccc2-n2cnnn2)s1.
What is the InChIKey of 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid?
The InChIKey is LDUHUBXHJFQNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O3S2/c17-10(13-8-2-1-7(21-8)11(18)19)9-6(3-4-20-9)16-5-12-14-15-16/h1-5H,(H,13,17)(H,18,19).
What are the key properties of 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid?
5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid has a molecular weight of 321.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(tetrazol-1-yl)thiophene-2-carbonyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).