2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one

C9H11N5OS2 — CID 55044991

IUPAC2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C9H11N5OS2/c1-2-10-8-6(13-14-17-8)5-16-9-11-4-3-7(15)12-9/h3-4,10H,2,5H2,1H3,(H,11,12,15)
InChIKeyZOHFLFBLWLXNAT-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.35
Rot. Bonds5

About 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one

2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 55044991) has the molecular formula C9H11N5OS2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID55044991
Molecular FormulaC9H11N5OS2
Molecular Weight269.35 g/mol
Exact Mass269.04
IUPAC Name2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
SMILESCCNc1snnc1CSc1nccc(=O)[nH]1
InChIInChI=1S/C9H11N5OS2/c1-2-10-8-6(13-14-17-8)5-16-9-11-4-3-7(15)12-9/h3-4,10H,2,5H2,1H3,(H,11,12,15)
InChIKeyZOHFLFBLWLXNAT-UHFFFAOYSA-N
XLogP1.35
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one (CID 55044991) is 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one is CCNc1snnc1CSc1nccc(=O)[nH]1.
What is the InChIKey of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is ZOHFLFBLWLXNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS2/c1-2-10-8-6(13-14-17-8)5-16-9-11-4-3-7(15)12-9/h3-4,10H,2,5H2,1H3,(H,11,12,15).
What are the key properties of 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one?
2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 269.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 55044991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).