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

C11H15N5OS2 — CID 135962110

IUPAC2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2nnsc2NC)n1
InChIInChI=1S/C11H15N5OS2/c1-3-4-7-5-9(17)14-11(13-7)18-6-8-10(12-2)19-16-15-8/h5,12H,3-4,6H2,1-2H3,(H,13,14,17)
InChIKeyHKZHHYFQKUOXRA-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.91
Rot. Bonds6

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

2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 135962110) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
PubChem CID135962110
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2nnsc2NC)n1
InChIInChI=1S/C11H15N5OS2/c1-3-4-7-5-9(17)14-11(13-7)18-6-8-10(12-2)19-16-15-8/h5,12H,3-4,6H2,1-2H3,(H,13,14,17)
InChIKeyHKZHHYFQKUOXRA-UHFFFAOYSA-N
XLogP1.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-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-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one (CID 135962110) is 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCc2nnsc2NC)n1.
What is the InChIKey of 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is HKZHHYFQKUOXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-3-4-7-5-9(17)14-11(13-7)18-6-8-10(12-2)19-16-15-8/h5,12H,3-4,6H2,1-2H3,(H,13,14,17).
What are the key properties of 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 297.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methylamino)thiadiazol-4-yl]methylsulfanyl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135962110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).