3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one

C9H11N5OS — CID 63768347

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
SMILESCCNc1snnc1Cn1cnccc1=O
InChIInChI=1S/C9H11N5OS/c1-2-11-9-7(12-13-16-9)5-14-6-10-4-3-8(14)15/h3-4,6,11H,2,5H2,1H3
InChIKeySNLGKROTZXXUCV-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.57
Rot. Bonds4

About 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one (PubChem CID 63768347) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
PubChem CID63768347
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
SMILESCCNc1snnc1Cn1cnccc1=O
InChIInChI=1S/C9H11N5OS/c1-2-11-9-7(12-13-16-9)5-14-6-10-4-3-8(14)15/h3-4,6,11H,2,5H2,1H3
InChIKeySNLGKROTZXXUCV-UHFFFAOYSA-N
XLogP0.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-6-methylpyrimidin-4-one
CID 55044777
2-[[5-(ethylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 55044991
1-Methyl-4-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrazine-2,3-dione
CID 55157395
1-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-3-methylpyridin-2-one
CID 55159380
2,6-Dimethyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 55234917
2,6-Dimethyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one
CID 55237819
3-[[5-(Ethylamino)thiadiazol-4-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 55239762
1-Methyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]pyrimidine-2,4-dione
CID 55239763
2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 62189468
2-[[5-(propylamino)thiadiazol-4-yl]methylsulfanyl]-1H-pyrimidin-6-one
CID 62189469
3-[(5-Aminothiadiazol-4-yl)methyl]-6-methylpyrimidin-4-one
CID 62193285
6-Methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62193449

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one (CID 63768347) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one is CCNc1snnc1Cn1cnccc1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
The InChIKey is SNLGKROTZXXUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-2-11-9-7(12-13-16-9)5-14-6-10-4-3-8(14)15/h3-4,6,11H,2,5H2,1H3.
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one?
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one has a molecular weight of 237.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 63768347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).