N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide

C9H7N3O3S — CID 685023

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccs1
InChIInChI=1S/C9H7N3O3S/c13-7-5(4-10-9(15)12-7)11-8(14)6-2-1-3-16-6/h1-4H,(H,11,14)(H2,10,12,13,15)
InChIKeyVTKLEBYPDWYLJQ-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.38
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 685023) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID685023
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccs1
InChIInChI=1S/C9H7N3O3S/c13-7-5(4-10-9(15)12-7)11-8(14)6-2-1-3-16-6/h1-4H,(H,11,14)(H2,10,12,13,15)
InChIKeyVTKLEBYPDWYLJQ-UHFFFAOYSA-N
XLogP0.38
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide (CID 685023) is N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide is O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccs1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is VTKLEBYPDWYLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c13-7-5(4-10-9(15)12-7)11-8(14)6-2-1-3-16-6/h1-4H,(H,11,14)(H2,10,12,13,15).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 237.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 685023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).