N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide

C10H8N4OS2 — CID 2344245

IUPACN-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ncccn1)c1cccs1
InChIInChI=1S/C10H8N4OS2/c15-8(7-3-1-6-17-7)13-10(16)14-9-11-4-2-5-12-9/h1-6H,(H2,11,12,13,14,15,16)
InChIKeyRWZFBQBRKNVJFL-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.66
Rot. Bonds2

About N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide

N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide (PubChem CID 2344245) has the molecular formula C10H8N4OS2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide
PubChem CID2344245
Molecular FormulaC10H8N4OS2
Molecular Weight264.33 g/mol
Exact Mass264.01
IUPAC NameN-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide
SMILESO=C(NC(=S)Nc1ncccn1)c1cccs1
InChIInChI=1S/C10H8N4OS2/c15-8(7-3-1-6-17-7)13-10(16)14-9-11-4-2-5-12-9/h1-6H,(H2,11,12,13,14,15,16)
InChIKeyRWZFBQBRKNVJFL-UHFFFAOYSA-N
XLogP1.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide?
The IUPAC name of N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide (CID 2344245) is N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide?
The canonical SMILES for N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide is O=C(NC(=S)Nc1ncccn1)c1cccs1.
What is the InChIKey of N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide?
The InChIKey is RWZFBQBRKNVJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS2/c15-8(7-3-1-6-17-7)13-10(16)14-9-11-4-2-5-12-9/h1-6H,(H2,11,12,13,14,15,16).
What are the key properties of N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide?
N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-2-ylcarbamothioyl)thiophene-2-carboxamide is sourced from PubChem (CID 2344245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).