3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole

C8H12N4OS — CID 10727260

IUPAC3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCSCc1noc(C2CN=CNC2)n1
InChIInChI=1S/C8H12N4OS/c1-14-4-7-11-8(13-12-7)6-2-9-5-10-3-6/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyCWNXCRZJZQAFDR-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.65
Rot. Bonds3

About 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole

3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (PubChem CID 10727260) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
PubChem CID10727260
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
SMILESCSCc1noc(C2CN=CNC2)n1
InChIInChI=1S/C8H12N4OS/c1-14-4-7-11-8(13-12-7)6-2-9-5-10-3-6/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyCWNXCRZJZQAFDR-UHFFFAOYSA-N
XLogP0.65
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole 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

5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
3-(Methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 44457579
5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 71990183
3-But-1-ynyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 9905064
5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 44472513
3-Butyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10058895
3-Propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10104084
3-Pentyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10443542
3-Hexyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10444134
3-Propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10750333
3-(2-Methylbutyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10751517

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole (CID 10727260) is 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is CSCc1noc(C2CN=CNC2)n1.
What is the InChIKey of 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
The InChIKey is CWNXCRZJZQAFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-14-4-7-11-8(13-12-7)6-2-9-5-10-3-6/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole?
3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole has a molecular weight of 212.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfanylmethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 10727260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).