2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

C11H10N4OS2 — CID 6896547

IUPAC2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1ncccn1)N/N=C/c1cccs1
InChIInChI=1S/C11H10N4OS2/c16-10(8-18-11-12-4-2-5-13-11)15-14-7-9-3-1-6-17-9/h1-7H,8H2,(H,15,16)/b14-7+
InChIKeyPBJHSRBJHSBWAQ-VGOFMYFVSA-N
MW278.36 g/mol
LogP1.78
Rot. Bonds5

About 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide

2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (PubChem CID 6896547) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
PubChem CID6896547
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
SMILESO=C(CSc1ncccn1)N/N=C/c1cccs1
InChIInChI=1S/C11H10N4OS2/c16-10(8-18-11-12-4-2-5-13-11)15-14-7-9-3-1-6-17-9/h1-7H,8H2,(H,15,16)/b14-7+
InChIKeyPBJHSRBJHSBWAQ-VGOFMYFVSA-N
XLogP1.78
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide (CID 6896547) is 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is O=C(CSc1ncccn1)N/N=C/c1cccs1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
The InChIKey is PBJHSRBJHSBWAQ-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H10N4OS2/c16-10(8-18-11-12-4-2-5-13-11)15-14-7-9-3-1-6-17-9/h1-7H,8H2,(H,15,16)/b14-7+.
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide?
2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide has a molecular weight of 278.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-[(E)-thiophen-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6896547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).